methyl 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoate

Systemtic Name: methyl 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoate Openeye Name: methyl 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoate CAS Name: 4-[3,5-dimethyl-4-(1-oxooctadecyl)-1H-pyrrol-2-yl]butanoic acid methyl ester IUPAC Name: methyl 4-(3,5-dimethyl-4-octadecanoyl-1H-pyrrol-2-yl)butanoate Traditional Name: 4-(3,5-dimethyl-4-stearoyl-1H-pyrrol-2-yl)butyric acid methyl ester Formula: C29H51NO3 MolecularWeight: 461.72014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)CCCC(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)CCCC(=O)OC)C

InChI

InChI=1S/C29H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(31)29-24(2)26(30-25(29)3)21-20-23-28(32)33-4/h30H,5-23H2,1-4H3