[4-[(E)-1-[4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(E)-1-[4-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)phenyl]-2-phenyl-but-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[(E)-1-[4-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]methyl ester IUPAC Name: [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]-2-phenylbut-1-enyl]phenoxy]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(E)-1-[4-(2-hydroxy-3-pyrrolidino-propoxy)phenyl]-2-phenyl-but-1-enyl]phenoxy]methyl ester Formula: C35H43NO5 MolecularWeight: 557.71962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCC(CN2CCCC2)O)C3=CC=C(C=C3)OCOC(=O)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCC(CN2CCCC2)O)\C3=CC=C(C=C3)OCOC(=O)C(C)(C)C)/C4=CC=CC=C4

InChI

InChI=1S/C35H43NO5/c1-5-32(26-11-7-6-8-12-26)33(28-15-19-31(20-16-28)40-25-41-34(38)35(2,3)4)27-13-17-30(18-14-27)39-24-29(37)23-36-21-9-10-22-36/h6-8,11-20,29,37H,5,9-10,21-25H2,1-4H3/b33-32+