[3-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate

Systemtic Name: [3-[3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate Openeye Name: [3-[3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] benzoate CAS Name: benzoic acid [3-[3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [3-[3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] benzoate Traditional Name: benzoic acid [3-[3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C35H31NO4S MolecularWeight: 561.68994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC(=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC(=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H31NO4S/c37-33(25-16-18-28(19-17-25)39-23-22-36-20-7-2-8-21-36)32-30-14-5-6-15-31(30)41-34(32)27-12-9-13-29(24-27)40-35(38)26-10-3-1-4-11-26/h1,3-6,9-19,24H,2,7-8,20-23H2