7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2R)-1-oxidanylpropan-2-yl]quinolizine-3-carboxylic acid

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2R)-1-oxidanylpropan-2-yl]quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1R)-2-hydroxy-1-methyl-ethyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypropan-2-yl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-[(1R)-2-hydroxy-1-methyl-ethyl]-4-keto-quinolizine-3-carboxylic acid Formula: C20H17ClFNO4 MolecularWeight: 389.804683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CO)C1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C20H17ClFNO4/c1-11(10-24)14-8-15(20(26)27)19(25)23-9-12(5-6-17(14)23)7-13-3-2-4-16(21)18(13)22/h2-6,8-9,11,24H,7,10H2,1H3,(H,26,27)/t11-/m0/s1