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

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-bromanylbenzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrNO3/c1-12(16(20)19-11-13-5-3-2-4-6-13)22-17(21)14-7-9-15(18)10-8-14/h7-10,12-13H,2-6,11H2,1H3,(H,19,20)/t12-/m1/s1