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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2-phenoxyethanoylamino)methyl]quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-1-[[(2-phenoxyacetyl)amino]methyl]quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[[(1-oxo-2-phenoxyethyl)amino]methyl]-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[[(2-phenoxyacetyl)amino]methyl]quinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-[[(2-phenoxyacetyl)amino]methyl]quinolizine-3-carboxylic acid Formula: C26H20ClFN2O5 MolecularWeight: 494.898803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NCC2=C3C=CC(=CN3C(=O)C(=C2)C(=O)O)CC4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NCC2=C3C=CC(=CN3C(=O)C(=C2)C(=O)O)CC4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C26H20ClFN2O5/c27-21-8-4-5-17(24(21)28)11-16-9-10-22-18(12-20(26(33)34)25(32)30(22)14-16)13-29-23(31)15-35-19-6-2-1-3-7-19/h1-10,12,14H,11,13,15H2,(H,29,31)(H,33,34)