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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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