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

Systemtic Name: ethyl 3,5-dimethyl-4-octadec-1-ynyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-octadec-1-ynyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-octadec-1-ynyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-octadec-1-ynyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-octadec-1-ynyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC#CC1=C(NC(=C1C)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC#CC1=C(NC(=C1C)C(=O)OCC)C

InChI

InChI=1S/C27H45NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-23(3)26(28-24(25)4)27(29)30-6-2/h28H,5-20H2,1-4H3