[(2R)-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]-3-oxidanyl-butyl] (E)-octadec-9-enoate

Systemtic Name: [(2R)-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]-3-oxidanyl-butyl] (E)-octadec-9-enoate Openeye Name: [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic 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] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] ester Formula: C36H57NO3 MolecularWeight: 551.84268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H57NO3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-35(38)40-28-33(36(4,5)39)32-27-37-34-26-30(23-22-29(2)3)24-25-31(32)34/h13-14,22,24-27,33,37,39H,6-12,15-21,23,28H2,1-5H3/b14-13+/t33-/m0/s1