6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-8-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(1-cyclohexyl-2-oxidanyl-ethyl)-8-ethoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(1-cyclohexyl-2-hydroxy-ethyl)-8-ethoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-8-ethoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-cyclohexyl-2-hydroxyethyl)-8-ethoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(1-cyclohexyl-2-hydroxy-ethyl)-8-ethoxy-4-keto-quinoline-3-carboxylic acid Formula: C27H29ClFNO5 MolecularWeight: 501.974263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1)CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2C(CO)C4CCCCC4)C(=O)O

InChI

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