6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-2,2-dimethyl-1-(1-oxidanylbutan-2-yl)-4-oxidanylidene-8-propan-2-yloxy-3H-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-2,2-dimethyl-1-(1-oxidanylbutan-2-yl)-4-oxidanylidene-8-propan-2-yloxy-3H-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[1-(hydroxymethyl)propyl]-8-isopropoxy-2,2-dimethyl-4-oxo-3H-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxybutan-2-yl)-2,2-dimethyl-4-oxo-8-propan-2-yloxy-3H-quinoline-3-carboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(1-hydroxybutan-2-yl)-2,2-dimethyl-4-oxo-8-propan-2-yloxy-3H-quinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-8-isopropoxy-4-keto-2,2-dimethyl-1-(1-methylolpropyl)-3H-quinoline-3-carboxylic acid Formula: C26H31ClFNO5 MolecularWeight: 491.979443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C2=C(C=C(C=C2C(=O)C(C1(C)C)C(=O)O)CC3=C(C(=CC=C3)Cl)F)OC(C)C

Isomeric SMILES

CCC(CO)N1C2=C(C=C(C=C2C(=O)C(C1(C)C)C(=O)O)CC3=C(C(=CC=C3)Cl)F)OC(C)C

InChI

InChI=1S/C26H31ClFNO5/c1-6-17(13-30)29-23-18(24(31)21(25(32)33)26(29,4)5)11-15(12-20(23)34-14(2)3)10-16-8-7-9-19(27)22(16)28/h7-9,11-12,14,17,21,30H,6,10,13H2,1-5H3,(H,32,33)