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

Systemtic Name: [4-[6-pentadecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] benzoate Openeye Name: [4-[6-pentadecanoyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] benzoate CAS Name: benzoic acid [4-[6-(1-oxopentadecoxy)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-pentadecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[6-pentadecanoyloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C50H59NO6S MolecularWeight: 802.07156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCN6CCCCC6

InChI

InChI=1S/C50H59NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-17-22-46(52)56-43-31-32-44-45(37-43)58-49(39-25-29-42(30-26-39)57-50(54)40-20-15-13-16-21-40)47(44)48(53)38-23-27-41(28-24-38)55-36-35-51-33-18-14-19-34-51/h13,15-16,20-21,23-32,37H,2-12,14,17-19,22,33-36H2,1H3