methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate

Systemtic Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate Openeye Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate CAS Name: 4-[(4S)-3-[anilino(oxo)methyl]-5-cyano-2,6-dimethyl-1,4-dihydropyridin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate Traditional Name: 4-[(4S)-3-cyano-2,6-dimethyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoic acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)OC)C#N

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/h4-12,21,25H,1-3H3,(H,26,27)/t21-/m0/s1