pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: 2-pyridylmethyl 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid 2-pyridylmethyl ester Formula: C20H20N2O2 MolecularWeight: 320.385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=CC=CC=N3)C

InChI

InChI=1S/C20H20N2O2/c1-14-7-9-18(10-8-14)22-15(2)12-19(16(22)3)20(23)24-13-17-6-4-5-11-21-17/h4-12H,13H2,1-3H3