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2-(2-methyl-1-octyl-4,5-diphenyl-pyrrol-3-yl)ethanoic acid

2-(2-methyl-1-octyl-4,5-diphenyl-pyrrol-3-yl)ethanoic acid

Systemtic Name:2-(2-methyl-1-octyl-4,5-diphenyl-pyrrol-3-yl)ethanoic acid
Openeye Name:2-(2-methyl-1-octyl-4,5-diphenyl-pyrrol-3-yl)acetic acid
CAS Name:2-(2-methyl-1-octyl-4,5-diphenyl-3-pyrrolyl)acetic acid
IUPAC Name:2-(2-methyl-1-octyl-4,5-diphenylpyrrol-3-yl)acetic acid
Traditional Name:2-(2-methyl-1-octyl-4,5-diphenyl-pyrrol-3-yl)acetic acid
Formula: C27H33NO2
MolecularWeight: 403.55642
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O)C


Isomeric SMILES

CCCCCCCCN1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O)C


InChI

InChI=1S/C27H33NO2/c1-3-4-5-6-7-14-19-28-21(2)24(20-25(29)30)26(22-15-10-8-11-16-22)27(28)23-17-12-9-13-18-23/h8-13,15-18H,3-7,14,19-20H2,1-2H3,(H,29,30)


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