ethyl 1-(1-acetamidopropan-2-yl)-7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(1-acetamidopropan-2-yl)-7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(2-acetamido-1-methyl-ethyl)-7-(cyclohexylamino)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-(1-acetamidopropan-2-yl)-7-(cyclohexylamino)-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-acetamidopropan-2-yl)-7-(cyclohexylamino)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 1-(2-acetamido-1-methyl-ethyl)-7-(cyclohexylamino)-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C(C)CNC(=O)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C(C)CNC(=O)C

InChI

InChI=1S/C23H30FN3O4/c1-4-31-23(30)18-13-27(14(2)12-25-15(3)28)21-11-20(19(24)10-17(21)22(18)29)26-16-8-6-5-7-9-16/h10-11,13-14,16,26H,4-9,12H2,1-3H3,(H,25,28)