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

Systemtic Name: methyl 3-(1-hexyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoate Openeye Name: methyl 3-(1-hexyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoate CAS Name: 3-[1-hexyl-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-hexyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)propanoate Traditional Name: 3-(1-hexyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid methyl ester Formula: C34H61NO3 MolecularWeight: 531.85304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H61NO3/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-32(36)34-29(3)31(26-27-33(37)38-5)35(30(34)4)28-24-11-9-7-2/h6-28H2,1-5H3