[3-[3-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethylamino]propyl]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [3-[3-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethylamino]propyl]cyclohex-2-en-1-yl] ethanoate Openeye Name: [3-[3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]propyl]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [3-[3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]propyl]-1-cyclohex-2-enyl] ester IUPAC Name: [3-[3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]propyl]cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [3-[3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]propyl]cyclohex-2-en-1-yl] ester Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(=C1)CCCNCCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)OC1CCCC(=C1)CCCNCCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C20H26BrNO4/c1-14(23)26-17-6-2-4-15(10-17)5-3-8-22-9-7-16-11-19-20(12-18(16)21)25-13-24-19/h10-12,17,22H,2-9,13H2,1H3