methyl 4-[3-[2-(2-benzamidoethanoyloxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(2-benzamidoethanoyloxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(2-benzamidoacetyl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-benzamidoacetyl)oxyacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-hippuroyloxyacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6/c1-16-13-21(17(2)27(16)20-11-9-19(10-12-20)25(31)32-3)22(28)15-33-23(29)14-26-24(30)18-7-5-4-6-8-18/h4-13H,14-15H2,1-3H3,(H,26,30)