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

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

Systemtic Name:2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-1-yl]propanoic acid
Openeye Name:2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxo-1-quinolyl]propanoic acid
CAS Name:2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxo-1-quinolinyl]propanoic acid
IUPAC Name:2-[7-(cyclohexylamino)-3-ethoxycarbonyl-6-fluoro-4-oxoquinolin-1-yl]propanoic acid
Traditional Name:2-[3-carbethoxy-7-(cyclohexylamino)-6-fluoro-4-keto-1-quinolyl]propionic acid
Formula: C21H25FN2O5
MolecularWeight: 404.432003
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H25FN2O5/c1-3-29-21(28)15-11-24(12(2)20(26)27)18-10-17(16(22)9-14(18)19(15)25)23-13-7-5-4-6-8-13/h9-13,23H,3-8H2,1-2H3,(H,26,27)


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