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

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

Systemtic Name:1-hexyl-3-octadecanoyl-indole-2-carboxylic acid
Openeye Name:1-hexyl-3-octadecanoyl-indole-2-carboxylic acid
CAS Name:1-hexyl-3-(1-oxooctadecyl)-2-indolecarboxylic acid
IUPAC Name:1-hexyl-3-octadecanoylindole-2-carboxylic acid
Traditional Name:1-hexyl-3-stearoyl-indole-2-carboxylic acid
Formula: C33H53NO3
MolecularWeight: 511.77882
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C33H53NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-26-30(35)31-28-24-21-22-25-29(28)34(32(31)33(36)37)27-23-8-6-4-2/h21-22,24-25H,3-20,23,26-27H2,1-2H3,(H,36,37)


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