[4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-oxidanyl-propoxy]phenyl]but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-oxidanyl-propoxy]phenyl]but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenoxy]methyl ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[3-(cyclohexylmethylamino)-2-hydroxy-propoxy]phenyl]but-1-enyl]phenoxy]methyl ester Formula: C39H49NO7 MolecularWeight: 643.80886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CNCC2CCCCC2)O)C3=CC=C(C=C3)OCOC(=O)C(C)(C)C)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC/C(=C(\C1=CC=C(C=C1)OCC(CNCC2CCCCC2)O)/C3=CC=C(C=C3)OCOC(=O)C(C)(C)C)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C39H49NO7/c1-5-34(30-15-20-35-36(21-30)46-26-45-35)37(29-13-18-33(19-14-29)44-25-47-38(42)39(2,3)4)28-11-16-32(17-12-28)43-24-31(41)23-40-22-27-9-7-6-8-10-27/h11-21,27,31,40-41H,5-10,22-26H2,1-4H3/b37-34-