3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(2E)-3-phenyl-2-propen-1-yl] ester

The 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(2E)-3-phenyl-2-propen-1-yl] ester, with the CAS registry number 99522-79-9, is also known as Methyl cinnamyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals. Its IUPAC name is called 3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate. This chemical's classification codes are Calcium channel blockers; Cardiovascular Agents; Drug / Therapeutic Agent; Membrane Transport Modulators; Reproductive Effect. It is yellow solid which can be used as novel calcium channel antagonist; cardiovascular agent.

Physical properties of 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl5-[(2E)-3-phenyl-2-propen-1-yl] ester: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6798.2; (6)ACD/BCF (pH 7.4): 6807.95; (7)ACD/KOC (pH 5.5): 19259.27; (8)ACD/KOC (pH 7.4): 19286.87; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 123.36 cm³; (14)Molar Volume: 357.6 cm³; (15)Surface Tension: 50 dyne/cm; (16)Density: 1.253 g/cm³; (17)Flash Point: 328.1 °C; (18)Enthalpy of Vaporization: 91.76 kJ/mol; (19)Boiling Point: 618.9 °C at 760 mmHg; (20)Vapour Pressure: 3.02E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C\c1ccccc1)\C2=C(\N/C(=C(/C(=O)OC)C2c3cccc([N+]([O-])=O)c3)C)C
(2)InChI: InChI=1/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+
(3)InChIKey: XTFPDGZNWTZCMF-DHZHZOJOBA

The toxicity data is as follows: