[2-(4-cycloheptyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] propanoate

Systemtic Name: [2-(4-cycloheptyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] propanoate Openeye Name: [2-[4-(cycloheptoxy)phenyl]-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] propanoate CAS Name: propanoic acid [2-(4-cycloheptyloxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-cycloheptyloxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] propanoate Traditional Name: propionic acid [2-[4-(cycloheptoxy)phenyl]-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C38H43NO5S MolecularWeight: 625.81672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC4CCCCCC4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC4CCCCCC4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C38H43NO5S/c1-2-35(40)44-32-20-21-33-34(26-32)45-38(28-14-18-31(19-15-28)43-30-10-6-3-4-7-11-30)36(33)37(41)27-12-16-29(17-13-27)42-25-24-39-22-8-5-9-23-39/h12-21,26,30H,2-11,22-25H2,1H3