2-[3,5-dimethyl-4-octadecanoyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-octadecanoyl-1-(phenylmethyl)pyrrol-2-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)acetic acid CAS Name: 2-[3,5-dimethyl-4-(1-oxooctadecyl)-1-(phenylmethyl)-2-pyrrolyl]acetic acid IUPAC Name: 2-(1-benzyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)acetic acid Traditional Name: 2-(1-benzyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)acetic acid Formula: C33H51NO3 MolecularWeight: 509.76294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31(35)33-27(2)30(25-32(36)37)34(28(33)3)26-29-22-19-18-20-23-29/h18-20,22-23H,4-17,21,24-26H2,1-3H3,(H,36,37)