4-methylpentyl 2-(2,5-dimethylpyrrol-1-yl)ethanoate

Systemtic Name: 4-methylpentyl 2-(2,5-dimethylpyrrol-1-yl)ethanoate Openeye Name: isohexyl 2-(2,5-dimethylpyrrol-1-yl)acetate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)acetic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(2,5-dimethylpyrrol-1-yl)acetate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)acetic acid isohexyl ester Formula: C14H23NO2 MolecularWeight: 237.33792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2/c1-11(2)6-5-9-17-14(16)10-15-12(3)7-8-13(15)4/h7-8,11H,5-6,9-10H2,1-4H3