[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)COC1=CC(=CC=C1)Br)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)COC1=CC(=CC=C1)Br)C2(CCCCC2)C#N

InChI

InChI=1S/C18H21BrN2O4/c1-21(18(13-20)8-3-2-4-9-18)16(22)11-25-17(23)12-24-15-7-5-6-14(19)10-15/h5-7,10H,2-4,8-9,11-12H2,1H3