ethyl 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylate Openeye Name: ethyl 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylate CAS Name: 1,3,5-trimethyl-4-(2-phenylethynyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylate Traditional Name: 1,3,5-trimethyl-4-(2-phenylethynyl)pyrrole-2-carboxylic acid ethyl ester Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C#CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C#CC2=CC=CC=C2)C

InChI

InChI=1S/C18H19NO2/c1-5-21-18(20)17-13(2)16(14(3)19(17)4)12-11-15-9-7-6-8-10-15/h6-10H,5H2,1-4H3