[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)NC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)NC)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-14(25)23-18(15-6-4-3-5-7-15)12-20(27)29-13-19(26)24-17-10-8-16(9-11-17)21(28)22-2/h3-11,18H,12-13H2,1-2H3,(H,22,28)(H,23,25)(H,24,26)/t18-/m1/s1