(phenylmethyl) 3-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3-ethyl-4-(2-methoxy-2-oxo-ethyl)-5-methyl-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-ethyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-(2-keto-2-methoxy-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1CC(=O)OC)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=C1CC(=O)OC)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4/c1-4-14-15(10-16(20)22-3)12(2)19-17(14)18(21)23-11-13-8-6-5-7-9-13/h5-9,19H,4,10-11H2,1-3H3