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

Systemtic Name: [4-[6-nonanoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] nonanoate Openeye Name: [4-[6-nonanoyloxy-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-2-yl]phenyl] nonanoate CAS Name: nonanoic acid [4-[6-(1-oxononoxy)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-nonanoyloxy-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[6-pelargonyloxy-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C46H59NO6S MolecularWeight: 754.02876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)CCCCCCCC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C46H59NO6S/c1-3-5-7-9-11-14-18-42(48)52-38-26-22-36(23-27-38)46-44(45(50)35-20-24-37(25-21-35)51-33-32-47-30-16-13-17-31-47)40-29-28-39(34-41(40)54-46)53-43(49)19-15-12-10-8-6-4-2/h20-29,34H,3-19,30-33H2,1-2H3