4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)amino]methyl]benzoic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16N2O3/c17-15(19)14(12-4-2-1-3-5-12)18-10-11-6-8-13(9-7-11)16(20)21/h1-9,14,18H,10H2,(H2,17,19)(H,20,21)