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[4-(1H-indol-2-yl)phenyl] docosanoate

[4-(1H-indol-2-yl)phenyl] docosanoate

Systemtic Name:[4-(1H-indol-2-yl)phenyl] docosanoate
Openeye Name:[4-(1H-indol-2-yl)phenyl] docosanoate
CAS Name:docosanoic acid [4-(1H-indol-2-yl)phenyl] ester
IUPAC Name:[4-(1H-indol-2-yl)phenyl] docosanoate
Traditional Name:behenic acid [4-(1H-indol-2-yl)phenyl] ester
Formula: C36H53NO2
MolecularWeight: 531.81152
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3N2


InChI

InChI=1S/C36H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36(38)39-33-28-26-31(27-29-33)35-30-32-23-21-22-24-34(32)37-35/h21-24,26-30,37H,2-20,25H2,1H3


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