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

Systemtic Name: 2-[2,6-dimethyl-3,5-bis(3-pyridin-3-ylpropoxycarbonyl)-1,4-dihydropyridin-4-yl]benzoic acid Openeye Name: 2-[2,6-dimethyl-3,5-bis[3-(3-pyridyl)propoxycarbonyl]-1,4-dihydropyridin-4-yl]benzoic acid CAS Name: 2-[2,6-dimethyl-3,5-bis[oxo-[3-(3-pyridinyl)propoxy]methyl]-1,4-dihydropyridin-4-yl]benzoic acid IUPAC Name: 2-[2,6-dimethyl-3,5-bis(3-pyridin-3-ylpropoxycarbonyl)-1,4-dihydropyridin-4-yl]benzoic acid Traditional Name: 2-[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=CC=C3C(=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=CC=C3C(=O)O)C(=O)OCCCC4=CN=CC=C4

InChI

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