6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-7-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-7-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-7-ethoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-7-ethoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-7-ethoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-7-ethoxy-4-keto-quinoline-3-carboxylic acid Formula: C27H29ClFNO5 MolecularWeight: 501.974263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCCCC3)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCCCC3)CC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C27H29ClFNO5/c1-2-35-24-13-22-19(12-18(24)11-17-9-6-10-21(28)25(17)29)26(32)20(27(33)34)14-30(22)23(15-31)16-7-4-3-5-8-16/h6,9-10,12-14,16,23,31H,2-5,7-8,11,15H2,1H3,(H,33,34)