[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=C(C=C2)Cl)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=CC=C(C=C2)Cl)NC(=O)N

InChI

InChI=1S/C18H18ClN3O4/c19-13-6-8-14(9-7-13)21-16(23)11-26-17(24)15(22-18(20)25)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H,21,23)(H3,20,22,25)/t15-/m0/s1