2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-1-yl]ethanoic acid

Systemtic Name: 2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-1-yl]ethanoic acid Openeye Name: 2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxo-1-quinolyl]acetic acid CAS Name: 2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxo-1-quinolinyl]acetic acid IUPAC Name: 2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxoquinolin-1-yl]acetic acid Traditional Name: 2-[3-carbethoxy-7-(cyclohexylamino)-6-fluoro-4-keto-1-quinolyl]acetic acid Formula: C20H23FN2O5 MolecularWeight: 390.405423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O5/c1-2-28-20(27)14-10-23(11-18(24)25)17-9-16(15(21)8-13(17)19(14)26)22-12-6-4-3-5-7-12/h8-10,12,22H,2-7,11H2,1H3,(H,24,25)