ethyl 4-octyl-1-(phenylmethyl)-2-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-octyl-1-(phenylmethyl)-2-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-4-octyl-2-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 4-octyl-1-(phenylmethyl)-2-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-octyl-2-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 1-benzyl-4-octyl-2-(trifluoromethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C23H30F3NO2 MolecularWeight: 409.48501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN(C(=C1C(=O)OCC)C(F)(F)F)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CN(C(=C1C(=O)OCC)C(F)(F)F)CC2=CC=CC=C2

InChI

InChI=1S/C23H30F3NO2/c1-3-5-6-7-8-12-15-19-17-27(16-18-13-10-9-11-14-18)21(23(24,25)26)20(19)22(28)29-4-2/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3