3-[2-[(phenylmethyl)amino]ethyl]benzoic acid

Systemtic Name: 3-[2-[(phenylmethyl)amino]ethyl]benzoic acid Openeye Name: 3-[2-(benzylamino)ethyl]benzoic acid CAS Name: 3-[2-[(phenylmethyl)amino]ethyl]benzoic acid IUPAC Name: 3-[2-(benzylamino)ethyl]benzoic acid Traditional Name: 3-[2-(benzylamino)ethyl]benzoic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H17NO2/c18-16(19)15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-8,11,17H,9-10,12H2,(H,18,19)