methyl 9-(4-hexyl-1-phenyl-pyrrol-2-yl)nonanoate; methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate

Systemtic Name: methyl 9-(4-hexyl-1-phenyl-pyrrol-2-yl)nonanoate; methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate Openeye Name: methyl 9-(4-hexyl-1-phenyl-pyrrol-2-yl)nonanoate; methyl 9-(5-hexyl-1-phenyl-pyrrol-3-yl)nonanoate CAS Name: 9-(4-hexyl-1-phenyl-2-pyrrolyl)nonanoic acid methyl ester; 9-(5-hexyl-1-phenyl-3-pyrrolyl)nonanoic acid methyl ester IUPAC Name: methyl 9-(4-hexyl-1-phenylpyrrol-2-yl)nonanoate; methyl 9-(5-hexyl-1-phenylpyrrol-3-yl)nonanoate Traditional Name: 9-(4-hexyl-1-phenyl-pyrrol-2-yl)pelargonic acid methyl ester; 9-(5-hexyl-1-phenyl-pyrrol-3-yl)pelargonic acid methyl ester Formula: C52H78N2O4 MolecularWeight: 795.18672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CN1C2=CC=CC=C2)CCCCCCCCC(=O)OC.CCCCCCC1=CN(C(=C1)CCCCCCCCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=CC(=CN1C2=CC=CC=C2)CCCCCCCCC(=O)OC.CCCCCCC1=CN(C(=C1)CCCCCCCCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/2C26H39NO2/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;1-3-4-5-11-16-23-21-25(27(22-23)24-17-13-10-14-18-24)19-12-8-6-7-9-15-20-26(28)29-2/h2*10,13-14,17-18,21-22H,3-9,11-12,15-16,19-20H2,1-2H3