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

Systemtic Name: 4-methylpentyl 2-[2,5-dimethyl-3-(phenylcarbonyl)pyrrol-1-yl]ethanoate Openeye Name: isohexyl 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)acetate CAS Name: 2-(3-benzoyl-2,5-dimethyl-1-pyrrolyl)acetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)acetate Traditional Name: 2-(3-benzoyl-2,5-dimethyl-pyrrol-1-yl)acetic acid isohexyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-15(2)9-8-12-25-20(23)14-22-16(3)13-19(17(22)4)21(24)18-10-6-5-7-11-18/h5-7,10-11,13,15H,8-9,12,14H2,1-4H3