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

Systemtic Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-[2-hydroxy-3-(1-piperidyl)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-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]but-1-enyl]phenoxy]methyl ester IUPAC Name: [4-[(Z)-2-(1,3-benzodioxol-5-yl)-1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)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-(2-hydroxy-3-piperidino-propoxy)phenyl]but-1-enyl]phenoxy]methyl ester Formula: C37H45NO7 MolecularWeight: 615.7557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCCC2)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(CN2CCCCC2)O)/C3=CC=C(C=C3)OCOC(=O)C(C)(C)C)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C37H45NO7/c1-5-32(28-13-18-33-34(21-28)44-25-43-33)35(27-11-16-31(17-12-27)42-24-45-36(40)37(2,3)4)26-9-14-30(15-10-26)41-23-29(39)22-38-19-7-6-8-20-38/h9-18,21,29,39H,5-8,19-20,22-25H2,1-4H3/b35-32-