2-[3-[[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]methyl]phenyl]propanoic acid

Systemtic Name: 2-[3-[[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]methyl]phenyl]propanoic acid Openeye Name: 2-[3-[[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethyl-pyrrol-1-yl]methyl]phenyl]propanoic acid CAS Name: 2-[3-[[2-(carboxymethyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]methyl]phenyl]propanoic acid IUPAC Name: 2-[3-[[2-(carboxymethyl)-4-dodecanoyl-3,5-dimethylpyrrol-1-yl]methyl]phenyl]propanoic acid Traditional Name: 2-[3-[[2-(carboxymethyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]methyl]phenyl]propionic acid Formula: C30H43NO5 MolecularWeight: 497.66612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CC2=CC(=CC=C2)C(C)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CC2=CC(=CC=C2)C(C)C(=O)O)C

InChI

InChI=1S/C30H43NO5/c1-5-6-7-8-9-10-11-12-13-17-27(32)29-22(3)26(19-28(33)34)31(23(29)4)20-24-15-14-16-25(18-24)21(2)30(35)36/h14-16,18,21H,5-13,17,19-20H2,1-4H3,(H,33,34)(H,35,36)