2-[[2,5-dimethyl-4-oxamoyl-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid

Systemtic Name: 2-[[2,5-dimethyl-4-oxamoyl-1-(phenylmethyl)pyrrol-3-yl]methyl]benzoic acid Openeye Name: 2-[(1-benzyl-2,5-dimethyl-4-oxamoyl-pyrrol-3-yl)methyl]benzoic acid CAS Name: 2-[[2,5-dimethyl-4-oxamoyl-1-(phenylmethyl)-3-pyrrolyl]methyl]benzoic acid IUPAC Name: 2-[(1-benzyl-2,5-dimethyl-4-oxamoylpyrrol-3-yl)methyl]benzoic acid Traditional Name: 2-[(1-benzyl-2,5-dimethyl-4-oxamoyl-pyrrol-3-yl)methyl]benzoic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)C(=O)N)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)C(=O)N)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C23H22N2O4/c1-14-19(12-17-10-6-7-11-18(17)23(28)29)20(21(26)22(24)27)15(2)25(14)13-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H2,24,27)(H,28,29)