methyl 2-[[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-(4-methylphenyl)amino]ethanoate

Systemtic Name: methyl 2-[[(3S)-3-cyano-2-oxidanylidene-3-phenyl-propyl]-(4-methylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[(3S)-3-cyano-2-oxo-3-phenyl-propyl]-4-methyl-anilino)acetate CAS Name: 2-(N-[(3S)-3-cyano-2-oxo-3-phenylpropyl]-4-methylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[(3S)-3-cyano-2-oxo-3-phenylpropyl]-4-methylanilino)acetate Traditional Name: 2-(N-[(3S)-3-cyano-2-keto-3-phenyl-propyl]-4-methyl-anilino)acetic acid methyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)C(C#N)C2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)[C@H](C#N)C2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C20H20N2O3/c1-15-8-10-17(11-9-15)22(14-20(24)25-2)13-19(23)18(12-21)16-6-4-3-5-7-16/h3-11,18H,13-14H2,1-2H3/t18-/m1/s1