[1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-piperidin-1-yl-propan-2-yl] ethanoate

Systemtic Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-piperidin-1-yl-propan-2-yl] ethanoate Openeye Name: [1-[[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]methyl]-2-(1-piperidyl)ethyl] acetate CAS Name: acetic acid [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-piperidin-1-ylpropan-2-yl] acetate Traditional Name: acetic acid [1-[[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]methyl]-2-piperidino-ethyl] ester Formula: C33H37NO6 MolecularWeight: 543.64998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(CN3CCCCC3)OC(=O)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCC(CN3CCCCC3)OC(=O)C)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C33H37NO6/c1-3-30(26-11-16-31-32(19-26)39-22-38-31)33(24-7-12-27(36)13-8-24)25-9-14-28(15-10-25)37-21-29(40-23(2)35)20-34-17-5-4-6-18-34/h7-16,19,29,36H,3-6,17-18,20-22H2,1-2H3/b33-30-