4-[3,5-bis(ethoxycarbonyl)-2-(4-methylpentyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]benzoic acid

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-2-(4-methylpentyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]benzoic acid Openeye Name: 4-[2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-3,5-bis(ethoxycarbonyl)-6-isohexyl-1,4-dihydropyridin-4-yl]benzoic acid CAS Name: 4-[3,5-bis(ethoxycarbonyl)-2-(4-methylpentyl)-6-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]-1,4-dihydropyridin-4-yl]benzoic acid IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-2-(4-methylpentyl)-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-1,4-dihydropyridin-4-yl]benzoic acid Traditional Name: 4-[2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-yl)-3,5-dicarbethoxy-6-isohexyl-1,4-dihydropyridin-4-yl]benzoic acid Formula: C33H47N2O8+ MolecularWeight: 599.73488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CCCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)[N+]3(CCCC3)C(=O)OC(C)(C)C)CCCC(C)C

InChI

InChI=1S/C33H46N2O8/c1-8-41-30(38)26-24(14-12-13-21(3)4)34-28(35(19-10-11-20-35)32(40)43-33(5,6)7)27(31(39)42-9-2)25(26)22-15-17-23(18-16-22)29(36)37/h15-18,21,25H,8-14,19-20H2,1-7H3,(H-,34,36,37,38,39)/p+1