[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-14-8-7-9-15(2)21(14)23-19(25)13-27-20(26)12-18(22-16(3)24)17-10-5-4-6-11-17/h4-11,18H,12-13H2,1-3H3,(H,22,24)(H,23,25)/t18-/m1/s1