[3-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]propyl]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [3-[3-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethylamino]propyl]cyclohex-2-en-1-yl] ethanoate Openeye Name: [3-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]propyl]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]propyl]-1-cyclohex-2-enyl] ester IUPAC Name: [3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]propyl]cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [3-[3-[2-(2-bromo-4,5-dimethoxy-phenyl)ethylamino]propyl]cyclohex-2-en-1-yl] ester Formula: C21H30BrNO4 MolecularWeight: 440.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(=C1)CCCNCCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC(=O)OC1CCCC(=C1)CCCNCCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H30BrNO4/c1-15(24)27-18-8-4-6-16(12-18)7-5-10-23-11-9-17-13-20(25-2)21(26-3)14-19(17)22/h12-14,18,23H,4-11H2,1-3H3