tert-butyl 3-(2-methylphenyl)-4-[2-(2-methylphenyl)ethynyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-(2-methylphenyl)-4-[2-(2-methylphenyl)ethynyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-(o-tolyl)-4-[2-(o-tolyl)ethynyl]-1H-pyrrole-2-carboxylate CAS Name: 3-(2-methylphenyl)-4-[2-(2-methylphenyl)ethynyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methylphenyl)-4-[2-(2-methylphenyl)ethynyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-(o-tolyl)-4-[2-(o-tolyl)ethynyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C25H25NO2 MolecularWeight: 371.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC2=CNC(=C2C3=CC=CC=C3C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C#CC2=CNC(=C2C3=CC=CC=C3C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H25NO2/c1-17-10-6-8-12-19(17)14-15-20-16-26-23(24(27)28-25(3,4)5)22(20)21-13-9-7-11-18(21)2/h6-13,16,26H,1-5H3