[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C)C)C

InChI

InChI=1S/C18H21NO3/c1-11-6-12(2)8-15(7-11)18(21)22-10-17(20)16-9-13(3)19(5)14(16)4/h6-9H,10H2,1-5H3