[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H22BrFN2O3/c22-17-10-16(11-24-12-17)21(27)28-14-20(26)25(19-4-2-1-3-5-19)13-15-6-8-18(23)9-7-15/h6-12,19H,1-5,13-14H2