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methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate

methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate

Systemtic Name:methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate
Openeye Name:methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate
CAS Name:9-(5-hexyl-1-phenyl-3-pyrrolyl)nonanoic acid methyl ester
IUPAC Name:methyl 9-(5-hexyl-1-phenylpyrrol-3-yl)nonanoate
Traditional Name:9-(5-hexyl-1-phenyl-pyrrol-3-yl)pelargonic acid methyl ester
Formula: C26H39NO2
MolecularWeight: 397.59336
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1C2=CC=CC=C2)CCCCCCCCC(=O)OC


Isomeric SMILES

CCCCCCC1=CC(=CN1C2=CC=CC=C2)CCCCCCCCC(=O)OC


InChI

InChI=1S/C26H39NO2/c1-3-4-5-12-19-25-21-23(22-27(25)24-17-13-10-14-18-24)16-11-8-6-7-9-15-20-26(28)29-2/h10,13-14,17-18,21-22H,3-9,11-12,15-16,19-20H2,1-2H3


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