2-[3-[methyl-(phenylmethyl)amino]propylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-[methyl-(phenylmethyl)amino]propylamino]pyridine-3-carboxylic acid Openeye Name: 2-[3-[benzyl(methyl)amino]propylamino]pyridine-3-carboxylic acid CAS Name: 2-[3-[methyl-(phenylmethyl)amino]propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[benzyl(methyl)amino]propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[3-[benzyl(methyl)amino]propylamino]nicotinic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=C(C=CC=N1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=C(C=CC=N1)C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2/c1-20(13-14-7-3-2-4-8-14)12-6-11-19-16-15(17(21)22)9-5-10-18-16/h2-5,7-10H,6,11-13H2,1H3,(H,18,19)(H,21,22)