5-methyl-2-[propyl(pyridin-4-ylcarbonyl)amino]benzoic acid

Systemtic Name: 5-methyl-2-[propyl(pyridin-4-ylcarbonyl)amino]benzoic acid Openeye Name: 5-methyl-2-[propyl(pyridine-4-carbonyl)amino]benzoic acid CAS Name: 5-methyl-2-[[oxo(pyridin-4-yl)methyl]-propylamino]benzoic acid IUPAC Name: 5-methyl-2-[propyl(pyridine-4-carbonyl)amino]benzoic acid Traditional Name: 2-[isonicotinoyl(propyl)amino]-5-methyl-benzoic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)C)C(=O)O)C(=O)C2=CC=NC=C2

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)C)C(=O)O)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H18N2O3/c1-3-10-19(16(20)13-6-8-18-9-7-13)15-5-4-12(2)11-14(15)17(21)22/h4-9,11H,3,10H2,1-2H3,(H,21,22)