[2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] 2,5-dibutylbenzoate

Systemtic Name: [2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] 2,5-dibutylbenzoate Openeye Name: [2-(4-methoxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] 2,5-dibutylbenzoate CAS Name: 2,5-dibutylbenzoic acid [2-(4-methoxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] 2,5-dibutylbenzoate Traditional Name: 2,5-dibutylbenzoic acid [2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester Formula: C44H49NO5S MolecularWeight: 703.92856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CCCC)C(=O)OC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CCCC)C(=O)OC2=CC3=C(C=C2)C(=C(S3)C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C44H49NO5S/c1-4-6-11-31-13-14-32(12-7-5-2)39(29-31)44(47)50-37-23-24-38-40(30-37)51-43(34-17-19-35(48-3)20-18-34)41(38)42(46)33-15-21-36(22-16-33)49-28-27-45-25-9-8-10-26-45/h13-24,29-30H,4-12,25-28H2,1-3H3