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

Systemtic Name: 4-[(2-cyanophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(2-cyanoanilino)-4-oxo-butanoic acid CAS Name: 4-(2-cyanoanilino)-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(2-cyanoanilino)-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-(2-cyanoanilino)-4-keto-butyric acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=CC=C2C#N

InChI

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