[3-[4-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethylamino]butyl]cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [3-[4-[2-(6-bromanyl-1,3-benzodioxol-5-yl)ethylamino]butyl]cyclohex-2-en-1-yl] ethanoate Openeye Name: [3-[4-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]butyl]cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [3-[4-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]butyl]-1-cyclohex-2-enyl] ester IUPAC Name: [3-[4-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]butyl]cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [3-[4-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]butyl]cyclohex-2-en-1-yl] ester Formula: C21H28BrNO4 MolecularWeight: 438.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(=C1)CCCCNCCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(=O)OC1CCCC(=C1)CCCCNCCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C21H28BrNO4/c1-15(24)27-18-7-4-6-16(11-18)5-2-3-9-23-10-8-17-12-20-21(13-19(17)22)26-14-25-20/h11-13,18,23H,2-10,14H2,1H3