ethyl 5-[(2S)-2-(2-benzamidoethanoyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(2-benzamidoethanoyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(2-benzamidoacetyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2-benzamido-1-oxoethoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(2-benzamidoacetyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-hippuroyloxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)CNC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C21H24N2O6/c1-5-28-21(27)17-12(2)18(23-13(17)3)19(25)14(4)29-16(24)11-22-20(26)15-9-7-6-8-10-15/h6-10,14,23H,5,11H2,1-4H3,(H,22,26)/t14-/m0/s1