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

Systemtic Name: 1-[(2-acetamidoethanoylamino)methyl]-7-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 1-[[(2-acetamidoacetyl)amino]methyl]-7-[(3-chloro-2-fluoro-phenyl)methyl]-4-oxo-quinolizine-3-carboxylic acid CAS Name: 1-[[(2-acetamido-1-oxoethyl)amino]methyl]-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 1-[[(2-acetamidoacetyl)amino]methyl]-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid Traditional Name: 1-[[(2-acetamidoacetyl)amino]methyl]-7-(3-chloro-2-fluoro-benzyl)-4-keto-quinolizine-3-carboxylic acid Formula: C22H19ClFN3O5 MolecularWeight: 459.854763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClFN3O5/c1-12(28)25-10-19(29)26-9-15-8-16(22(31)32)21(30)27-11-13(5-6-18(15)27)7-14-3-2-4-17(23)20(14)24/h2-6,8,11H,7,9-10H2,1H3,(H,25,28)(H,26,29)(H,31,32)