[2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(1-benzamido-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-(1-benzamido-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)COC(=O)CC(C)(C)C

InChI

InChI=1S/C21H26N2O4/c1-14-11-17(18(24)13-27-19(25)12-21(3,4)5)15(2)23(14)22-20(26)16-9-7-6-8-10-16/h6-11H,12-13H2,1-5H3,(H,22,26)