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2-(1-methyl-3-octadecanoyl-indol-2-yl)ethanoic acid

2-(1-methyl-3-octadecanoyl-indol-2-yl)ethanoic acid

Systemtic Name:2-(1-methyl-3-octadecanoyl-indol-2-yl)ethanoic acid
Openeye Name:2-(1-methyl-3-octadecanoyl-indol-2-yl)acetic acid
CAS Name:2-[1-methyl-3-(1-oxooctadecyl)-2-indolyl]acetic acid
IUPAC Name:2-(1-methyl-3-octadecanoylindol-2-yl)acetic acid
Traditional Name:2-(1-methyl-3-stearoyl-indol-2-yl)acetic acid
Formula: C29H45NO3
MolecularWeight: 455.6725
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(31)29-24-20-18-19-21-25(24)30(2)26(29)23-28(32)33/h18-21H,3-17,22-23H2,1-2H3,(H,32,33)


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