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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1R)-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=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O4/c1-13(17(23)21-18(12-20)9-3-2-4-10-18)25-16(22)11-24-15-7-5-14(19)6-8-15/h5-8,13H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1