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

Systemtic Name: methyl 4-[3-[2-(3-acetamidopropanoyloxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(3-acetamidopropanoyloxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(3-acetamido-1-oxopropoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3-acetamidopropanoyloxy)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(3-acetamidopropanoyloxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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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)CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CCNC(=O)C

InChI

InChI=1S/C21H24N2O6/c1-13-11-18(19(25)12-29-20(26)9-10-22-15(3)24)14(2)23(13)17-7-5-16(6-8-17)21(27)28-4/h5-8,11H,9-10,12H2,1-4H3,(H,22,24)