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

Systemtic Name: [4-[6-dodecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] dodecanoate Openeye Name: [4-[6-dodecanoyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] dodecanoate CAS Name: dodecanoic acid [4-[6-(1-oxododecoxy)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-dodecanoyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] dodecanoate Traditional Name: lauric acid [4-[6-lauroyloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C52H71NO6S MolecularWeight: 838.18824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C52H71NO6S/c1-3-5-7-9-11-13-15-17-20-24-48(54)58-44-32-28-42(29-33-44)52-50(51(56)41-26-30-43(31-27-41)57-39-38-53-36-22-19-23-37-53)46-35-34-45(40-47(46)60-52)59-49(55)25-21-18-16-14-12-10-8-6-4-2/h26-35,40H,3-25,36-39H2,1-2H3