[4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 3-methyl-5-propyl-benzoate

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] 3-methyl-5-propyl-benzoate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] 3-methyl-5-propyl-benzoate CAS Name: 3-methyl-5-propylbenzoic acid [4-[6-hydroxy-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] 3-methyl-5-propylbenzoate Traditional Name: 3-methyl-5-propyl-benzoic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C39H39NO5S MolecularWeight: 633.79566

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)C)C(=O)OC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CCCC1=CC(=CC(=C1)C)C(=O)OC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C39H39NO5S/c1-3-7-27-22-26(2)23-30(24-27)39(43)45-33-15-10-29(11-16-33)38-36(34-17-12-31(41)25-35(34)46-38)37(42)28-8-13-32(14-9-28)44-21-20-40-18-5-4-6-19-40/h8-17,22-25,41H,3-7,18-21H2,1-2H3