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

Systemtic Name: methyl 4-[3-[2-(2-benzamidoethanoyloxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(2-benzamidoacetyl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(2-benzamido-1-oxoethoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-benzamidoacetyl)oxyacetyl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-(2-hippuroyloxyacetyl)-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-15-12-18(16(2)24(15)11-7-10-20(26)29-3)19(25)14-30-21(27)13-23-22(28)17-8-5-4-6-9-17/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3,(H,23,28)