2-(propan-2-ylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(propan-2-ylamino)quinoline-4-carboxylic acid Openeye Name: 2-(isopropylamino)quinoline-4-carboxylic acid CAS Name: 2-(propan-2-ylamino)-4-quinolinecarboxylic acid IUPAC Name: 2-(propan-2-ylamino)quinoline-4-carboxylic acid Traditional Name: 2-(isopropylamino)cinchoninic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-8(2)14-12-7-10(13(16)17)9-5-3-4-6-11(9)15-12/h3-8H,1-2H3,(H,14,15)(H,16,17)