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

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=CC=C2C#N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC(=O)NC2=CC=CC=C2C#N)NC(=O)N

InChI

InChI=1S/C19H18N4O4/c20-11-14-8-4-5-9-15(14)22-17(24)12-27-18(25)16(23-19(21)26)10-13-6-2-1-3-7-13/h1-9,16H,10,12H2,(H,22,24)(H3,21,23,26)/t16-/m0/s1