[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C(C)OC2=CC=C(C=C2)Br

InChI

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