dimethyl 2-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(3-methylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2-m-toluoylpyrrol-1-yl)ethyl]malonic acid dimethyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H21NO5/c1-13-6-4-7-14(12-13)17(21)16-8-5-10-20(16)11-9-15(18(22)24-2)19(23)25-3/h4-8,10,12,15H,9,11H2,1-3H3