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

Systemtic Name: 5-chloranyl-2-[propyl(pyridin-4-ylcarbonyl)amino]benzoic acid Openeye Name: 5-chloro-2-[propyl(pyridine-4-carbonyl)amino]benzoic acid CAS Name: 5-chloro-2-[[oxo(pyridin-4-yl)methyl]-propylamino]benzoic acid IUPAC Name: 5-chloro-2-[propyl(pyridine-4-carbonyl)amino]benzoic acid Traditional Name: 5-chloro-2-[isonicotinoyl(propyl)amino]benzoic acid Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3/c1-2-9-19(15(20)11-5-7-18-8-6-11)14-4-3-12(17)10-13(14)16(21)22/h3-8,10H,2,9H2,1H3,(H,21,22)