[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-bromanylbenzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3/c17-14-8-6-13(7-9-14)16(20)21-11-15(19)18-10-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,19)