(3S)-3-[ethanoyl-(phenylmethyl)amino]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[ethanoyl-(phenylmethyl)amino]-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[acetyl(benzyl)amino]-4-oxo-4-(p-tolyl)butanoic acid CAS Name: (3S)-3-[acetyl-(phenylmethyl)amino]-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: (3S)-3-[acetyl(benzyl)amino]-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: (3S)-3-[acetyl(benzyl)amino]-4-keto-4-(p-tolyl)butyric acid Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC(=O)O)N(CC2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](CC(=O)O)N(CC2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C20H21NO4/c1-14-8-10-17(11-9-14)20(25)18(12-19(23)24)21(15(2)22)13-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,23,24)/t18-/m0/s1