2-(1-heptyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(1-heptyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(1-heptyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[1-heptyl-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-heptyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-heptyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)acetic acid Formula: C33H59NO3 MolecularWeight: 517.82646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCCCCCC)C

InChI

InChI=1S/C33H59NO3/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-31(35)33-28(3)30(27-32(36)37)34(29(33)4)26-24-22-10-8-6-2/h5-27H2,1-4H3,(H,36,37)