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

Systemtic Name: methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 5-methyl-2-propyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-methyl-2-propyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-methyl-2-propyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2/c1-4-7-15-14(16(19)20-3)10-12(2)18(15)11-13-8-5-6-9-17-13/h5-6,8-10H,4,7,11H2,1-3H3