4-[[(2-methylphenyl)methylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-methylphenyl)methylamino]methyl]benzoic acid Openeye Name: 4-[(o-tolylmethylamino)methyl]benzoic acid CAS Name: 4-[[(2-methylphenyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-methylphenyl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(2-methylbenzyl)amino]methyl]benzoic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CNCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO2/c1-12-4-2-3-5-15(12)11-17-10-13-6-8-14(9-7-13)16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19)