5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid Openeye Name: 5-[methyl(3-pyridylmethyl)amino]-2-(propanoylamino)benzoic acid CAS Name: 5-[methyl(3-pyridinylmethyl)amino]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid Traditional Name: 5-[methyl(3-pyridylmethyl)amino]-2-propionamido-benzoic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)N(C)CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)N(C)CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C17H19N3O3/c1-3-16(21)19-15-7-6-13(9-14(15)17(22)23)20(2)11-12-5-4-8-18-10-12/h4-10H,3,11H2,1-2H3,(H,19,21)(H,22,23)