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3-octadecanoyl-1-octyl-indole-2-carboxylic acid

3-octadecanoyl-1-octyl-indole-2-carboxylic acid

Systemtic Name:3-octadecanoyl-1-octyl-indole-2-carboxylic acid
Openeye Name:3-octadecanoyl-1-octyl-indole-2-carboxylic acid
CAS Name:1-octyl-3-(1-oxooctadecyl)-2-indolecarboxylic acid
IUPAC Name:3-octadecanoyl-1-octylindole-2-carboxylic acid
Traditional Name:1-octyl-3-stearoyl-indole-2-carboxylic acid
Formula: C35H57NO3
MolecularWeight: 539.83198
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCCCCCCC)C(=O)O


InChI

InChI=1S/C35H57NO3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-28-32(37)33-30-26-23-24-27-31(30)36(34(33)35(38)39)29-25-21-10-8-6-4-2/h23-24,26-27H,3-22,25,28-29H2,1-2H3,(H,38,39)


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