[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C26H27FN2O3 MolecularWeight: 434.502583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O3/c27-19-14-12-18(13-15-19)24-16-22(21-10-6-7-11-23(21)29-24)26(31)32-17-25(30)28-20-8-4-2-1-3-5-9-20/h6-7,10-16,20H,1-5,8-9,17H2,(H,28,30)