2-(pentan-3-ylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(pentan-3-ylamino)quinoline-4-carboxylic acid Openeye Name: 2-(1-ethylpropylamino)quinoline-4-carboxylic acid CAS Name: 2-(pentan-3-ylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(pentan-3-ylamino)quinoline-4-carboxylic acid Traditional Name: 2-(1-ethylpropylamino)cinchoninic acid Formula: C15H18N2O2 MolecularWeight: 258.31562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCC(CC)NC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C15H18N2O2/c1-3-10(4-2)16-14-9-12(15(18)19)11-7-5-6-8-13(11)17-14/h5-10H,3-4H2,1-2H3,(H,16,17)(H,18,19)