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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-methoxyethanoylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[[(2-methoxyacetyl)amino]methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-methoxy-1-oxoethyl)amino]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-methoxyacetyl)amino]methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-[[(2-methoxyacetyl)amino]methyl]quinolizine-3-carboxylic acid Formula: C21H18ClFN2O5 MolecularWeight: 432.829423

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

COCC(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C21H18ClFN2O5/c1-30-11-18(26)24-9-14-8-15(21(28)29)20(27)25-10-12(5-6-17(14)25)7-13-3-2-4-16(22)19(13)23/h2-6,8,10H,7,9,11H2,1H3,(H,24,26)(H,28,29)