[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-phenyl-2-ureido-propanoate CAS Name: 2-(carbamoylamino)-3-phenylpropanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-2-ureido-propionic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C(CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H20N4O4/c1-13(18(25)23-16-9-5-8-15(10-16)12-21)28-19(26)17(24-20(22)27)11-14-6-3-2-4-7-14/h2-10,13,17H,11H2,1H3,(H,23,25)(H3,22,24,27)