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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-1-[(propanoylamino)methyl]quinolizine-3-carboxylic acid Openeye Name: 7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-1-[(propanoylamino)methyl]quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[(1-oxopropylamino)methyl]-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1-[(propanoylamino)methyl]quinolizine-3-carboxylic acid Traditional Name: 7-(3-chloro-2-fluoro-benzyl)-4-keto-1-(propionamidomethyl)quinolizine-3-carboxylic acid Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFN2O4/c1-2-18(26)24-10-14-9-15(21(28)29)20(27)25-11-12(6-7-17(14)25)8-13-4-3-5-16(22)19(13)23/h3-7,9,11H,2,8,10H2,1H3,(H,24,26)(H,28,29)