2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanoate

Systemtic Name: 2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanoate Openeye Name: 2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)acetate CAS Name: 2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)acetate IUPAC Name: 2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)acetate Traditional Name: 2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)acetate Formula: C16H18NO2- MolecularWeight: 256.31962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)CC(=O)[O-]

InChI

InChI=1S/C16H19NO2/c1-12-10-15(11-16(18)19)13(2)17(12)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)/p-1