[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] (3S)-3-acetamido-3-phenyl-propanoate CAS Name: (3S)-3-acetamido-3-phenylpropanoic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] (3S)-3-acetamido-3-phenylpropanoate Traditional Name: (3S)-3-acetamido-3-phenyl-propionic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4/c1-13-8-9-17(16(21)10-13)23-19(25)12-27-20(26)11-18(22-14(2)24)15-6-4-3-5-7-15/h3-10,18H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t18-/m0/s1