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

Systemtic Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(3-phenylpropanoyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(3-phenylpropanoyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-(1-oxo-3-phenylpropyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(3-phenylpropanoyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-(1-hydrocinnamoyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C36H55NO4 MolecularWeight: 565.8262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C36H55NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(38)36-29(2)32(26-28-35(40)41)37(30(36)3)34(39)27-25-31-22-19-18-20-23-31/h18-20,22-23H,4-17,21,24-28H2,1-3H3,(H,40,41)