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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-7-methoxy-4-oxidanylidene-1-(2-oxidanyl-1-piperidin-4-yl-ethyl)quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[2-hydroxy-1-(4-piperidyl)ethyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[2-hydroxy-1-(4-piperidinyl)ethyl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxy-1-piperidin-4-ylethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-[2-hydroxy-1-(4-piperidyl)ethyl]-4-keto-7-methoxy-quinoline-3-carboxylic acid Formula: C25H26ClFN2O5 MolecularWeight: 488.935743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCNCC3)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C(CO)C3CCNCC3)CC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C25H26ClFN2O5/c1-34-22-11-20-17(10-16(22)9-15-3-2-4-19(26)23(15)27)24(31)18(25(32)33)12-29(20)21(13-30)14-5-7-28-8-6-14/h2-4,10-12,14,21,28,30H,5-9,13H2,1H3,(H,32,33)