[2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyloxy]-3-icosanoyloxy-propyl] icosanoate

Systemtic Name: [2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoyloxy]-3-icosanoyloxy-propyl] icosanoate Openeye Name: [2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]oxy-3-icosanoyloxy-propyl] icosanoate CAS Name: eicosanoic acid [2-[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethoxy]-3-(1-oxoeicosoxy)propyl] ester IUPAC Name: [2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-3-icosanoyloxypropyl] icosanoate Traditional Name: arachidic acid [2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]oxy-3-eicosanoyloxy-propyl] ester Formula: C62H98ClNO8 MolecularWeight: 1020.89642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C62H98ClNO8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-59(65)70-49-55(50-71-60(66)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)72-61(67)48-56-51(3)64(58-46-45-54(69-4)47-57(56)58)62(68)52-41-43-53(63)44-42-52/h41-47,55H,5-40,48-50H2,1-4H3