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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-methylpropanoylamino)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(2-methylpropanoylamino)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[[(2-methyl-1-oxopropyl)amino]methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2-methylpropanoylamino)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-1-[(isobutyrylamino)methyl]-4-keto-quinolizine-3-carboxylic acid Formula: C22H20ClFN2O4 MolecularWeight: 430.856603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O4/c1-12(2)20(27)25-10-15-9-16(22(29)30)21(28)26-11-13(6-7-18(15)26)8-14-4-3-5-17(23)19(14)24/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27)(H,29,30)