7-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid

Systemtic Name: 7-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid Openeye Name: 7-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]heptanoic acid CAS Name: 7-[2-(carboxymethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]heptanoic acid IUPAC Name: 7-[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]heptanoic acid Traditional Name: 7-[2-(carboxymethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]enanthic acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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