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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(2-phenylethanoylamino)methyl]quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-1-[[(2-phenylacetyl)amino]methyl]quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[[(1-oxo-2-phenylethyl)amino]methyl]-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[[(2-phenylacetyl)amino]methyl]quinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-[[(2-phenylacetyl)amino]methyl]quinolizine-3-carboxylic acid Formula: C26H20ClFN2O4 MolecularWeight: 478.899403

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20ClFN2O4/c27-21-8-4-7-18(24(21)28)11-17-9-10-22-19(13-20(26(33)34)25(32)30(22)15-17)14-29-23(31)12-16-5-2-1-3-6-16/h1-10,13,15H,11-12,14H2,(H,29,31)(H,33,34)