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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-propan-2-yl-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-isopropyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-propan-2-yl-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-propan-2-ylquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-isopropyl-4-keto-quinolizine-3-carboxylic acid Formula: C20H17ClFNO3 MolecularWeight: 373.805283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFNO3/c1-11(2)14-9-15(20(25)26)19(24)23-10-12(6-7-17(14)23)8-13-4-3-5-16(21)18(13)22/h3-7,9-11H,8H2,1-2H3,(H,25,26)