1,3,5-trimethyl-4-octadecanoyl-pyrrole-2-carboxylic acid

Systemtic Name: 1,3,5-trimethyl-4-octadecanoyl-pyrrole-2-carboxylic acid Openeye Name: 1,3,5-trimethyl-4-octadecanoyl-pyrrole-2-carboxylic acid CAS Name: 1,3,5-trimethyl-4-(1-oxooctadecyl)-2-pyrrolecarboxylic acid IUPAC Name: 1,3,5-trimethyl-4-octadecanoylpyrrole-2-carboxylic acid Traditional Name: 1,3,5-trimethyl-4-stearoyl-pyrrole-2-carboxylic acid Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)24-21(2)25(26(29)30)27(4)22(24)3/h5-20H2,1-4H3,(H,29,30)