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

Systemtic Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-[ethyl(methyl)amino]propan-2-yl] ethanoate Openeye Name: [1-[[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]methyl]-2-[ethyl(methyl)amino]ethyl] acetate CAS Name: acetic acid [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-[ethyl(methyl)amino]propan-2-yl] ester IUPAC Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-[ethyl(methyl)amino]propan-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-[ethyl(methyl)amino]ethyl] ester Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(CN(C)CC)OC(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCC(CN(C)CC)OC(=O)C)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C31H35NO6/c1-5-28(24-11-16-29-30(17-24)37-20-36-29)31(22-7-12-25(34)13-8-22)23-9-14-26(15-10-23)35-19-27(38-21(3)33)18-32(4)6-2/h7-17,27,34H,5-6,18-20H2,1-4H3/b31-28-