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

Systemtic Name: 7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 7-[(3-chloro-2-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C22H19ClFNO5 MolecularWeight: 431.841363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFNO5/c1-22(2,3)30-21(29)14-10-15(20(27)28)19(26)25-11-12(7-8-17(14)25)9-13-5-4-6-16(23)18(13)24/h4-8,10-11H,9H2,1-3H3,(H,27,28)