2-[(4-butylphenyl)amino]-6-chloranyl-pyridine-4-carboxylic acid

Systemtic Name: 2-[(4-butylphenyl)amino]-6-chloranyl-pyridine-4-carboxylic acid Openeye Name: 2-(4-butylanilino)-6-chloro-pyridine-4-carboxylic acid CAS Name: 2-(4-butylanilino)-6-chloro-4-pyridinecarboxylic acid IUPAC Name: 2-(4-butylanilino)-6-chloropyridine-4-carboxylic acid Traditional Name: 2-(4-butylanilino)-6-chloro-isonicotinic acid Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=CC(=C2)C(=O)O)Cl

InChI

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