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

Systemtic Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-(cyclohexylmethylamino)propan-2-yl] ethanoate Openeye Name: [1-[[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]methyl]-2-(cyclohexylmethylamino)ethyl] acetate CAS Name: acetic acid [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-(cyclohexylmethylamino)propan-2-yl] ester IUPAC Name: [1-[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(4-hydroxyphenyl)but-1-enyl]phenoxy]-3-(cyclohexylmethylamino)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-(cyclohexylmethylamino)ethyl] ester Formula: C35H41NO6 MolecularWeight: 571.70314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC(CNCC3CCCCC3)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(CNCC3CCCCC3)OC(=O)C)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C35H41NO6/c1-3-32(28-13-18-33-34(19-28)41-23-40-33)35(26-9-14-29(38)15-10-26)27-11-16-30(17-12-27)39-22-31(42-24(2)37)21-36-20-25-7-5-4-6-8-25/h9-19,25,31,36,38H,3-8,20-23H2,1-2H3/b35-32-