[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4/c1-18-9-8-14-21(15-18)26-23(28)17-31-25(30)22(16-19-10-4-2-5-11-19)27-24(29)20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,26,28)(H,27,29)/t22-/m0/s1