[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-bromanylphenoxy)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC(=CC=C2)Br

InChI

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