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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3/c1-12(23-16(22)13-5-7-14(18)8-6-13)15(21)20-17(11-19)9-3-2-4-10-17/h5-8,12H,2-4,9-10H2,1H3,(H,20,21)/t12-/m1/s1