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

Systemtic Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)propanoate Openeye Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)propanoate CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-propyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3,5-dimethyl-4-octadecanoyl-1-propylpyrrol-2-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-propyl-4-stearoyl-pyrrol-2-yl)propionic acid methyl ester Formula: C31H55NO3 MolecularWeight: 489.7733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H55NO3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)31-26(3)28(23-24-30(34)35-5)32(25-7-2)27(31)4/h6-25H2,1-5H3