methyl 5-(hydroxymethyl)-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-(hydroxymethyl)-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylbenzoyl)-5-(hydroxymethyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-2-methyl-5-methylol-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)CO)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)CO)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO4/c1-14-19(22(26)27-2)20(18(13-24)23-14)21(25)17-11-7-6-10-16(17)12-15-8-4-3-5-9-15/h3-11,23-24H,12-13H2,1-2H3