methyl 3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoate

Systemtic Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoate Openeye Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-pentyl-pyrrol-2-yl)propanoate CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-pentyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-pentylpyrrol-2-yl)propanoate Traditional Name: 3-(1-amyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid methyl ester Formula: C33H59NO3 MolecularWeight: 517.82646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCC)C

InChI

InChI=1S/C33H59NO3/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(35)33-28(3)30(25-26-32(36)37-5)34(29(33)4)27-23-9-7-2/h6-27H2,1-5H3