3-methylbutyl 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]ethanoate Openeye Name: isopentyl 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)acetate CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetate Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)acetic acid isoamyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(=O)OCCC(C)C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC(=O)OCCC(C)C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO3/c1-14(2)10-11-24-19(22)13-21-15(3)12-18(16(21)4)20(23)17-8-6-5-7-9-17/h5-9,12,14H,10-11,13H2,1-4H3