[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H23BrN2O4 MolecularWeight: 423.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N(C)C1(CCCCC1)C#N)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H23BrN2O4/c1-14(26-16-8-6-15(20)7-9-16)18(24)25-12-17(23)22(2)19(13-21)10-4-3-5-11-19/h6-9,14H,3-5,10-12H2,1-2H3