[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-14-9-15(2)11-18(10-14)23-20(25)13-27-21(26)12-19(22-16(3)24)17-7-5-4-6-8-17/h4-11,19H,12-13H2,1-3H3,(H,22,24)(H,23,25)/t19-/m1/s1