ethyl 3-dodecanoyl-4,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-dodecanoyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-dodecanoyl-4,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4,5-dimethyl-3-(1-oxododecyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-dodecanoyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3-lauroyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(NC(=C1C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(NC(=C1C)C)C(=O)OCC

InChI

InChI=1S/C21H35NO3/c1-5-7-8-9-10-11-12-13-14-15-18(23)19-16(3)17(4)22-20(19)21(24)25-6-2/h22H,5-15H2,1-4H3