6-[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic acid

Systemtic Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]hexanoic acid CAS Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-octadecanoylpyrrol-1-yl]hexanoic acid Traditional Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-stearoyl-pyrrol-1-yl]hexanoic acid Formula: C33H57NO5 MolecularWeight: 547.80938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H57NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-30(35)33-27(2)29(24-25-32(38)39)34(28(33)3)26-21-18-20-23-31(36)37/h4-26H2,1-3H3,(H,36,37)(H,38,39)