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

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

Systemtic Name:2-(3-octadecanoyl-1H-indol-2-yl)ethanoic acid
Openeye Name:2-(3-octadecanoyl-1H-indol-2-yl)acetic acid
CAS Name:2-[3-(1-oxooctadecyl)-1H-indol-2-yl]acetic acid
IUPAC Name:2-(3-octadecanoyl-1H-indol-2-yl)acetic acid
Traditional Name:2-(3-stearoyl-1H-indol-2-yl)acetic acid
Formula: C28H43NO3
MolecularWeight: 441.64592
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC2=CC=CC=C21)CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC2=CC=CC=C21)CC(=O)O


InChI

InChI=1S/C28H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(30)28-23-19-17-18-20-24(23)29-25(28)22-27(31)32/h17-20,29H,2-16,21-22H2,1H3,(H,31,32)


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