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

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(1S)-2-oxidanyl-1-phenyl-ethyl]quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(1S)-2-hydroxy-1-phenylethyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(1S)-2-hydroxy-1-phenylethyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-[(1S)-2-hydroxy-1-phenyl-ethyl]-4-keto-quinoline-3-carboxylic acid Formula: C25H19ClFNO4 MolecularWeight: 451.874063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CO)N2C=C(C(=O)C3=C2C=CC(=C3)CC4=C(C(=CC=C4)Cl)F)C(=O)O

InChI

InChI=1S/C25H19ClFNO4/c26-20-8-4-7-17(23(20)27)11-15-9-10-21-18(12-15)24(30)19(25(31)32)13-28(21)22(14-29)16-5-2-1-3-6-16/h1-10,12-13,22,29H,11,14H2,(H,31,32)/t22-/m1/s1