2-[3-[methyl-(phenylmethyl)amino]propylamino]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-[methyl-(phenylmethyl)amino]propylamino]pyridine-4-carboxylic acid Openeye Name: 2-[3-[benzyl(methyl)amino]propylamino]pyridine-4-carboxylic acid CAS Name: 2-[3-[methyl-(phenylmethyl)amino]propylamino]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-[benzyl(methyl)amino]propylamino]pyridine-4-carboxylic acid Traditional Name: 2-[3-[benzyl(methyl)amino]propylamino]isonicotinic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=CC(=C1)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=NC=CC(=C1)C(=O)O)CC2=CC=CC=C2

InChI

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