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

Systemtic Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid Openeye Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid CAS Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid IUPAC Name: 4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid Traditional Name: 4-(3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridin-4-yl)benzoic acid Formula: C20H23NO6 MolecularWeight: 373.39972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)O)C(=O)OCC)C)C

InChI

InChI=1S/C20H23NO6/c1-5-26-19(24)15-11(3)21-12(4)16(20(25)27-6-2)17(15)13-7-9-14(10-8-13)18(22)23/h7-10,17,21H,5-6H2,1-4H3,(H,22,23)