2-(butylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(butylamino)quinoline-4-carboxylic acid Openeye Name: 2-(butylamino)quinoline-4-carboxylic acid CAS Name: 2-(butylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(butylamino)quinoline-4-carboxylic acid Traditional Name: 2-(butylamino)cinchoninic acid Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCCCNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C14H16N2O2/c1-2-3-8-15-13-9-11(14(17)18)10-6-4-5-7-12(10)16-13/h4-7,9H,2-3,8H2,1H3,(H,15,16)(H,17,18)