methyl 5-tert-butyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 5-tert-butyl-2-propyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-propyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-2-propyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C19H26N2O2 MolecularWeight: 314.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(N1CC2=CC=CC=N2)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCCC1=C(C=C(N1CC2=CC=CC=N2)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C19H26N2O2/c1-6-9-16-15(18(22)23-5)12-17(19(2,3)4)21(16)13-14-10-7-8-11-20-14/h7-8,10-12H,6,9,13H2,1-5H3