[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-benzamido-3-phenyl-propanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (3S)-3-benzamido-3-phenyl-propanoate CAS Name: (3S)-3-benzamido-3-phenylpropanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate Traditional Name: (3S)-3-benzamido-3-phenyl-propionic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4/c1-18-13-14-22(15-19(18)2)27-24(29)17-32-25(30)16-23(20-9-5-3-6-10-20)28-26(31)21-11-7-4-8-12-21/h3-15,23H,16-17H2,1-2H3,(H,27,29)(H,28,31)/t23-/m0/s1