6-[(4-butylphenyl)amino]-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[(4-butylphenyl)amino]-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 6-(4-butylanilino)-5-chloro-pyridine-3-carboxylic acid CAS Name: 6-(4-butylanilino)-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 6-(4-butylanilino)-5-chloropyridine-3-carboxylic acid Traditional Name: 6-(4-butylanilino)-5-chloro-nicotinic acid Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=N2)C(=O)O)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=N2)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O2/c1-2-3-4-11-5-7-13(8-6-11)19-15-14(17)9-12(10-18-15)16(20)21/h5-10H,2-4H2,1H3,(H,18,19)(H,20,21)