2-[(4-cyanophenyl)methyl]-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-3-oxidanylidene-3-[(phenylmethyl)amino]propanoic acid Openeye Name: 3-(benzylamino)-2-[(4-cyanophenyl)methyl]-3-oxo-propanoic acid CAS Name: 2-[(4-cyanophenyl)methyl]-3-oxo-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 3-(benzylamino)-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid Traditional Name: 3-(benzylamino)-2-(4-cyanobenzyl)-3-keto-propionic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C18H16N2O3/c19-11-14-8-6-13(7-9-14)10-16(18(22)23)17(21)20-12-15-4-2-1-3-5-15/h1-9,16H,10,12H2,(H,20,21)(H,22,23)