2-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)ethanoic acid Openeye Name: 2-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)acetic acid CAS Name: 2-[3,5-dimethyl-4-(1-oxooctadecyl)-1-propyl-2-pyrrolyl]acetic acid IUPAC Name: 2-(3,5-dimethyl-4-octadecanoyl-1-propylpyrrol-2-yl)acetic acid Traditional Name: 2-(3,5-dimethyl-1-propyl-4-stearoyl-pyrrol-2-yl)acetic acid Formula: C29H51NO3 MolecularWeight: 461.72014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)O)CCC)C

InChI

InChI=1S/C29H51NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(31)29-24(3)26(23-28(32)33)30(22-6-2)25(29)4/h5-23H2,1-4H3,(H,32,33)