1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-methyl-4-oxidanylidene-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-methyl-4-oxidanylidene-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid Openeye Name: 1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid CAS Name: 1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-7-[4-(1-oxopropylamino)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-6-methyl-4-oxo-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid Traditional Name: 1-(2,6-difluorobenzyl)-4-keto-6-methyl-7-(4-propionamidophenyl)quinoline-3-carboxylic acid Formula: C27H22F2N2O4 MolecularWeight: 476.471386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=C(C=CC=C4F)F)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=C(C=CC=C4F)F)C

InChI

InChI=1S/C27H22F2N2O4/c1-3-25(32)30-17-9-7-16(8-10-17)18-12-24-19(11-15(18)2)26(33)21(27(34)35)14-31(24)13-20-22(28)5-4-6-23(20)29/h4-12,14H,3,13H2,1-2H3,(H,30,32)(H,34,35)