2-[(3-butylphenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[(3-butylphenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(3-butylanilino)pyridine-3-carboxylic acid CAS Name: 2-(3-butylanilino)-3-pyridinecarboxylic acid IUPAC Name: 2-(3-butylanilino)pyridine-3-carboxylic acid Traditional Name: 2-(3-butylanilino)nicotinic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-2-3-6-12-7-4-8-13(11-12)18-15-14(16(19)20)9-5-10-17-15/h4-5,7-11H,2-3,6H2,1H3,(H,17,18)(H,19,20)