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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CCCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

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