[(2R)-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]-3-oxidanyl-butyl] hexadecanoate

Systemtic Name: [(2R)-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]-3-oxidanyl-butyl] hexadecanoate Openeye Name: [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate CAS Name: hexadecanoic acid [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] ester IUPAC Name: [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate Traditional Name: palmitic acid [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] ester Formula: C34H55NO3 MolecularWeight: 525.8054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C1=CNC2=C1C=CC(=C2)CC=C(C)C)C(C)(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H](C1=CNC2=C1C=CC(=C2)CC=C(C)C)C(C)(C)O

InChI

InChI=1S/C34H55NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(36)38-26-31(34(4,5)37)30-25-35-32-24-28(21-20-27(2)3)22-23-29(30)32/h20,22-25,31,35,37H,6-19,21,26H2,1-5H3/t31-/m0/s1