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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CC2=CC=CC=C2)CC(=O)O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CC2=CC=CC=C2)CC(=O)O)C)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)34(3)30(26-32(36)37)29(33)25-28-22-19-18-20-23-28/h18-20,22-23H,4-17,21,24-26H2,1-3H3,(H,36,37)