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

Systemtic Name: 3-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-propyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-(3,5-dimethyl-4-octadecanoyl-1-propylpyrrol-2-yl)propanoic acid Traditional Name: 3-(3,5-dimethyl-1-propyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C30H53NO3 MolecularWeight: 475.74672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H53NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)30-25(3)27(22-23-29(33)34)31(24-6-2)26(30)4/h5-24H2,1-4H3,(H,33,34)