(4-cyanophenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-cyanophenyl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (4-cyanophenyl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (4-cyanobenzyl) ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)C#N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)C#N)NC(=O)N

InChI

InChI=1S/C18H17N3O3/c19-11-14-6-8-15(9-7-14)12-24-17(22)16(21-18(20)23)10-13-4-2-1-3-5-13/h1-9,16H,10,12H2,(H3,20,21,23)/t16-/m0/s1