3,5-dimethyl-4-octadecyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-octadecyl-1H-pyrrole-2-carboxylic acid Openeye Name: 3,5-dimethyl-4-octadecyl-1H-pyrrole-2-carboxylic acid CAS Name: 3,5-dimethyl-4-octadecyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 3,5-dimethyl-4-octadecyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3,5-dimethyl-4-stearyl-1H-pyrrole-2-carboxylic acid Formula: C25H45NO2 MolecularWeight: 391.6303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(NC(=C1C)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(NC(=C1C)C(=O)O)C

InChI

InChI=1S/C25H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)24(25(27)28)26-22(23)3/h26H,4-20H2,1-3H3,(H,27,28)