2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[2-oxidanylidene-2-(propylamino)ethyl]amino]quinoline-4-carboxylic acid Openeye Name: 2-[[2-oxo-2-(propylamino)ethyl]amino]quinoline-4-carboxylic acid CAS Name: 2-[[2-oxo-2-(propylamino)ethyl]amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[2-oxo-2-(propylamino)ethyl]amino]quinoline-4-carboxylic acid Traditional Name: 2-[[2-keto-2-(propylamino)ethyl]amino]cinchoninic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CCCNC(=O)CNC1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-2-7-16-14(19)9-17-13-8-11(15(20)21)10-5-3-4-6-12(10)18-13/h3-6,8H,2,7,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)