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

Systemtic Name: 6-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]hexanoic acid Openeye Name: 6-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]hexanoic acid CAS Name: 6-[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 6-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]hexanoic acid Traditional Name: 6-[2-(2-carboxyethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]hexanoic acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO5/c1-4-5-6-7-8-9-10-11-13-16-24(29)27-21(2)23(18-19-26(32)33)28(22(27)3)20-15-12-14-17-25(30)31/h4-20H2,1-3H3,(H,30,31)(H,32,33)