propan-2-yl 5-cyano-2,6-dimethyl-4-[3-(phenylmethyl)quinolin-5-yl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 5-cyano-2,6-dimethyl-4-[3-(phenylmethyl)quinolin-5-yl]-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 4-(3-benzyl-5-quinolyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-[3-(phenylmethyl)-5-quinolinyl]-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-benzylquinolin-5-yl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-benzyl-5-quinolyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C28H27N3O2 MolecularWeight: 437.53288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C=C(C=NC3=CC=C2)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=C3C=C(C=NC3=CC=C2)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C28H27N3O2/c1-17(2)33-28(32)26-19(4)31-18(3)24(15-29)27(26)22-11-8-12-25-23(22)14-21(16-30-25)13-20-9-6-5-7-10-20/h5-12,14,16-17,27,31H,13H2,1-4H3