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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C)C

InChI

InChI=1S/C22H26N2O4/c1-4-17-12-8-9-15(2)22(17)24-20(26)14-28-21(27)13-19(23-16(3)25)18-10-6-5-7-11-18/h5-12,19H,4,13-14H2,1-3H3,(H,23,25)(H,24,26)/t19-/m1/s1