7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-5-phenylmethoxy-quinoline-3-carboxylic acid

Systemtic Name: 7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-5-phenylmethoxy-quinoline-3-carboxylic acid Openeye Name: 5-benzyloxy-7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-5-phenylmethoxy-3-quinolinecarboxylic acid IUPAC Name: 7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-5-phenylmethoxyquinoline-3-carboxylic acid Traditional Name: 5-benzoxy-7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C28H33FN2O4 MolecularWeight: 480.571023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=C(C(=O)C2=C(C(=C(C=C21)NC3CCCCC3)F)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(CC)N1C=C(C(=O)C2=C(C(=C(C=C21)NC3CCCCC3)F)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H33FN2O4/c1-3-20(4-2)31-16-21(28(33)34)26(32)24-23(31)15-22(30-19-13-9-6-10-14-19)25(29)27(24)35-17-18-11-7-5-8-12-18/h5,7-8,11-12,15-16,19-20,30H,3-4,6,9-10,13-14,17H2,1-2H3,(H,33,34)