(phenylmethyl) 5-(acetyloxymethyl)-4-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-(acetyloxymethyl)-4-(4-ethoxy-4-oxidanylidene-butyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-(acetoxymethyl)-4-(4-ethoxy-4-oxo-butyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-4-(4-ethoxy-4-oxobutyl)-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(acetyloxymethyl)-4-(4-ethoxy-4-oxobutyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-(4-ethoxy-4-keto-butyl)-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C

Isomeric SMILES

CCOC(=O)CCCC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C

InChI

InChI=1S/C22H27NO6/c1-4-27-20(25)12-8-11-18-15(2)21(23-19(18)14-28-16(3)24)22(26)29-13-17-9-6-5-7-10-17/h5-7,9-10,23H,4,8,11-14H2,1-3H3