8-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]octanoic acid CAS Name: 8-[2-(2-carboxyethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]octanoic acid IUPAC Name: 8-[2-(2-carboxyethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]octanoic acid Traditional Name: 8-[2-(2-carboxyethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]caprylic acid Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO5/c1-4-5-6-7-8-9-10-12-15-18-26(31)29-23(2)25(20-21-28(34)35)30(24(29)3)22-17-14-11-13-16-19-27(32)33/h4-22H2,1-3H3,(H,32,33)(H,34,35)