ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate CAS Name: 5-(chloromethyl)-3-methyl-4-(1-oxooctadecyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(chloromethyl)-3-methyl-4-stearoyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H46ClNO3 MolecularWeight: 468.11204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)CCl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(NC(=C1C)C(=O)OCC)CCl

InChI

InChI=1S/C27H46ClNO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(30)25-22(3)26(27(31)32-5-2)29-23(25)21-28/h29H,4-21H2,1-3H3