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

Systemtic Name: 2-[(4-butylphenyl)amino]pyridine-4-carboxylic acid Openeye Name: 2-(4-butylanilino)pyridine-4-carboxylic acid CAS Name: 2-(4-butylanilino)-4-pyridinecarboxylic acid IUPAC Name: 2-(4-butylanilino)pyridine-4-carboxylic acid Traditional Name: 2-(4-butylanilino)isonicotinic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-2-3-4-12-5-7-14(8-6-12)18-15-11-13(16(19)20)9-10-17-15/h5-11H,2-4H2,1H3,(H,17,18)(H,19,20)