3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid Openeye Name: 3-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]benzoic acid CAS Name: 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid IUPAC Name: 3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid Traditional Name: 3-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]benzoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN(CCC1=CC=NC=C1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-18(10-7-13-5-8-17-9-6-13)12-14-3-2-4-15(11-14)16(19)20/h2-6,8-9,11H,7,10,12H2,1H3,(H,19,20)