4-[2,6-dimethyl-3,5-bis(3-pyridin-3-ylpropoxycarbonyl)-1,4-dihydropyridin-4-yl]benzoic acid

Systemtic Name: 4-[2,6-dimethyl-3,5-bis(3-pyridin-3-ylpropoxycarbonyl)-1,4-dihydropyridin-4-yl]benzoic acid Openeye Name: 4-[2,6-dimethyl-3,5-bis[3-(3-pyridyl)propoxycarbonyl]-1,4-dihydropyridin-4-yl]benzoic acid CAS Name: 4-[2,6-dimethyl-3,5-bis[oxo-[3-(3-pyridinyl)propoxy]methyl]-1,4-dihydropyridin-4-yl]benzoic acid IUPAC Name: 4-[2,6-dimethyl-3,5-bis(3-pyridin-3-ylpropoxycarbonyl)-1,4-dihydropyridin-4-yl]benzoic acid Traditional Name: 4-[2,6-dimethyl-3,5-bis[3-(3-pyridyl)propoxycarbonyl]-1,4-dihydropyridin-4-yl]benzoic acid Formula: C32H33N3O6 MolecularWeight: 555.62092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OCCCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)C(=O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C32H33N3O6/c1-21-27(31(38)40-17-5-9-23-7-3-15-33-19-23)29(25-11-13-26(14-12-25)30(36)37)28(22(2)35-21)32(39)41-18-6-10-24-8-4-16-34-20-24/h3-4,7-8,11-16,19-20,29,35H,5-6,9-10,17-18H2,1-2H3,(H,36,37)