1-(2-hydroxyethyl)-4-oxidanylidene-6-[[2-(propylamino)phenyl]methyl]quinoline-3-carboxylic acid

Systemtic Name: 1-(2-hydroxyethyl)-4-oxidanylidene-6-[[2-(propylamino)phenyl]methyl]quinoline-3-carboxylic acid Openeye Name: 1-(2-hydroxyethyl)-4-oxo-6-[[2-(propylamino)phenyl]methyl]quinoline-3-carboxylic acid CAS Name: 1-(2-hydroxyethyl)-4-oxo-6-[[2-(propylamino)phenyl]methyl]-3-quinolinecarboxylic acid IUPAC Name: 1-(2-hydroxyethyl)-4-oxo-6-[[2-(propylamino)phenyl]methyl]quinoline-3-carboxylic acid Traditional Name: 1-(2-hydroxyethyl)-4-keto-6-[2-(propylamino)benzyl]quinoline-3-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CCCNC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C22H24N2O4/c1-2-9-23-19-6-4-3-5-16(19)12-15-7-8-20-17(13-15)21(26)18(22(27)28)14-24(20)10-11-25/h3-8,13-14,23,25H,2,9-12H2,1H3,(H,27,28)