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

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-(bromomethyl)-4-oxidanylidene-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid Openeye Name: 6-(bromomethyl)-1-[(2,6-difluorophenyl)methyl]-4-oxo-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid CAS Name: 6-(bromomethyl)-1-[(2,6-difluorophenyl)methyl]-4-oxo-7-[4-(1-oxopropylamino)phenyl]-3-quinolinecarboxylic acid IUPAC Name: 6-(bromomethyl)-1-[(2,6-difluorophenyl)methyl]-4-oxo-7-[4-(propanoylamino)phenyl]quinoline-3-carboxylic acid Traditional Name: 6-(bromomethyl)-1-(2,6-difluorobenzyl)-4-keto-7-(4-propionamidophenyl)quinoline-3-carboxylic acid Formula: C27H21BrF2N2O4 MolecularWeight: 555.367446

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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)CBr

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)CBr

InChI

InChI=1S/C27H21BrF2N2O4/c1-2-25(33)31-17-8-6-15(7-9-17)18-11-24-19(10-16(18)12-28)26(34)21(27(35)36)14-32(24)13-20-22(29)4-3-5-23(20)30/h3-11,14H,2,12-13H2,1H3,(H,31,33)(H,35,36)