3-(1-ethyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1-ethyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1-ethyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1-ethyl-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1-ethyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1-ethyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C29H51NO3 MolecularWeight: 461.72014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)CC)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(22-23-28(32)33)30(6-2)25(29)4/h5-23H2,1-4H3,(H,32,33)