4-[[4-(2-azanylethyl)phenyl]methyl]benzoic acid

Systemtic Name: 4-[[4-(2-azanylethyl)phenyl]methyl]benzoic acid Openeye Name: 4-[[4-(2-aminoethyl)phenyl]methyl]benzoic acid CAS Name: 4-[[4-(2-aminoethyl)phenyl]methyl]benzoic acid IUPAC Name: 4-[[4-(2-aminoethyl)phenyl]methyl]benzoic acid Traditional Name: 4-[4-(2-aminoethyl)benzyl]benzoic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCN)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17NO2/c17-10-9-12-1-3-13(4-2-12)11-14-5-7-15(8-6-14)16(18)19/h1-8H,9-11,17H2,(H,18,19)