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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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