4-(3-chlorophenyl)-5-(3,3-dipyridin-2-ylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)-5-(3,3-dipyridin-2-ylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[3,3-bis(2-pyridyl)propoxycarbonyl]-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[3,3-bis(2-pyridinyl)propoxy-oxomethyl]-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-chlorophenyl)-5-(3,3-dipyridin-2-ylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[3,3-bis(2-pyridyl)propoxycarbonyl]-4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C28H26ClN3O4 MolecularWeight: 503.97674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C28H26ClN3O4/c1-17-24(27(33)34)26(19-8-7-9-20(29)16-19)25(18(2)32-17)28(35)36-15-12-21(22-10-3-5-13-30-22)23-11-4-6-14-31-23/h3-11,13-14,16,21,26,32H,12,15H2,1-2H3,(H,33,34)