[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC(=O)C1=C(C=CC(=C1)Br)OC)C2(CCCCC2)C#N

InChI

InChI=1S/C21H25BrN2O5/c1-24(21(14-23)10-4-3-5-11-21)19(26)13-29-20(27)9-7-17(25)16-12-15(22)6-8-18(16)28-2/h6,8,12H,3-5,7,9-11,13H2,1-2H3