1-benzothiophen-2-yl 4-phenoxy-2-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]butanoate

Systemtic Name: 1-benzothiophen-2-yl 4-phenoxy-2-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]butanoate Openeye Name: benzothiophen-2-yl 4-phenoxy-2-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]butanoate CAS Name: 4-phenoxy-2-[phenyl-[2-(1-pyrrolidinyl)ethoxy]methyl]butanoic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl 4-phenoxy-2-[phenyl(2-pyrrolidin-1-ylethoxy)methyl]butanoate Traditional Name: 4-phenoxy-2-[phenyl(2-pyrrolidinoethoxy)methyl]butyric acid benzothiophen-2-yl ester Formula: C31H33NO4S MolecularWeight: 515.66302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC(C2=CC=CC=C2)C(CCOC3=CC=CC=C3)C(=O)OC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)CCOC(C2=CC=CC=C2)C(CCOC3=CC=CC=C3)C(=O)OC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C31H33NO4S/c33-31(36-29-23-25-13-7-8-16-28(25)37-29)27(17-21-34-26-14-5-2-6-15-26)30(24-11-3-1-4-12-24)35-22-20-32-18-9-10-19-32/h1-8,11-16,23,27,30H,9-10,17-22H2