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

Systemtic Name: ethyl 4-hexadecanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-hexadecanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(1-oxohexadecyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexadecanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-hexadecanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)23-20(3)24(26-21(23)4)25(28)29-6-2/h26H,5-19H2,1-4H3