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

Systemtic Name: methyl 5-[(2S)-2-(2-benzamidoethanoyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)OC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-11-16(20(26)27-4)12(2)22-17(11)18(24)13(3)28-15(23)10-21-19(25)14-8-6-5-7-9-14/h5-9,13,22H,10H2,1-4H3,(H,21,25)/t13-/m0/s1