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

Systemtic Name: [4-[6-oxidanyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] cycloheptanecarboxylate Openeye Name: [4-[6-hydroxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] cycloheptanecarboxylate CAS Name: cycloheptanecarboxylic 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] cycloheptanecarboxylate Traditional Name: cycloheptanecarboxylic acid [4-[6-hydroxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C36H39NO5S MolecularWeight: 597.76356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)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

C1CCCC(CC1)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/C36H39NO5S/c38-28-14-19-31-32(24-28)43-35(26-12-17-30(18-13-26)42-36(40)27-8-4-1-2-5-9-27)33(31)34(39)25-10-15-29(16-11-25)41-23-22-37-20-6-3-7-21-37/h10-19,24,27,38H,1-9,20-23H2