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

Systemtic Name: 3-dodecanoyl-1,4,5-trimethyl-pyrrole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1,4,5-trimethyl-pyrrole-2-carboxylic acid CAS Name: 1,4,5-trimethyl-3-(1-oxododecyl)-2-pyrrolecarboxylic acid IUPAC Name: 3-dodecanoyl-1,4,5-trimethylpyrrole-2-carboxylic acid Traditional Name: 3-lauroyl-1,4,5-trimethyl-pyrrole-2-carboxylic acid Formula: C20H33NO3 MolecularWeight: 335.48092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO3/c1-5-6-7-8-9-10-11-12-13-14-17(22)18-15(2)16(3)21(4)19(18)20(23)24/h5-14H2,1-4H3,(H,23,24)