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CAS No.: | 146447-26-9 |
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Name: | N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid |
Molecular Structure: | |
Formula: | C27H29N3O7 |
Molecular Weight: | 507.54 |
Synonyms: | N-{4-[4-(piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide Maleate;N-[4-[4-(Piperidinomethyl)Pyridyl-2-Oxy]-Cis-2-Butene}Phthalimide Maleic Acid;2-{(2Z)-4-{[4-(1-Piperidinylmethyl)-2-pyridinyl]-oxy}-2-butenyl}-1H-isoindole-1,3(2H)-dione (2Z)-2-butenoate;1H-isoindole-1,3(2H)-dione, 2-[(2E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1); |
EINECS: | 604-527-2 |
Safety: | 24/25 |
PSA: | 137.34000 |
LogP: | 2.88630 |
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The CAS register number of N-{4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butene}phthalimide maleic acid is 146447-26-9. It also can be called as 1H-isoindole-1,3(2H)-dione, 2-[(2E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]-2-buten-1-yl]-, (2Z)-2-butenedioate (1:1) and the systematic name about this chemical is 2-[(2E)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-yl]-1H-isoindole-1,3(2H)-dione (2Z)-but-2-enedioate (1:1). The molecular formula about this chemical is C27H29N3O7 and the molecular weight is 507.54.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)C(=O)N(C2=O)CC=CCOc3cc(ccn3)CN4CCCCC4.C(=CC(=O)O)C(=O)O
(2)InChI: InChI=1/C23H25N3O3.C4H4O4/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25;5-3(6)1-2-4(7)8/h2-3,6-11,16H,1,4-5,12-15,17H2;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-
(3)InChIKey: CKMFWYSSYXTDBF-GVTSEVKNBM
(4)Std. InChI: InChI=1S/C23H25N3O3.C4H4O4/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-7-15-29-21-16-18(10-11-24-21)17-25-12-4-1-5-13-25;5-3(6)1-2-4(7)8/h2-3,6-11,16H,1,4-5,12-15,17H2;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-
(5)Std. InChIKey: CKMFWYSSYXTDBF-GVTSEVKNSA-N