2-(pentylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(pentylamino)quinoline-4-carboxylic acid Openeye Name: 2-(pentylamino)quinoline-4-carboxylic acid CAS Name: 2-(pentylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(pentylamino)quinoline-4-carboxylic acid Traditional Name: 2-(amylamino)cinchoninic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCCCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-2-3-6-9-16-14-10-12(15(18)19)11-7-4-5-8-13(11)17-14/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)