methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-4-yl]benzoate

Systemtic Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-4-yl]benzoate Openeye Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-4-yl]benzoate CAS Name: 4-[(4S)-5-[anilino(oxo)methyl]-3-cyano-2,6-dimethyl-3,4-dihydropyridin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-4-yl]benzoate Traditional Name: 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-3,4-dihydropyridin-4-yl]benzoic acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O3/c1-14-19(13-24)21(16-9-11-17(12-10-16)23(28)29-3)20(15(2)25-14)22(27)26-18-7-5-4-6-8-18/h4-12,19,21H,1-3H3,(H,26,27)/t19?,21-/m1/s1