[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)Br

InChI

InChI=1S/C17H22BrNO4/c1-22-15-8-7-13(9-14(15)18)17(21)23-11-16(20)19-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,19,20)