dimethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-3-yl]propanedioate

Systemtic Name: dimethyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-3-yl]propanedioate Openeye Name: dimethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-3-yl]propanedioate CAS Name: 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-3-yl]propanedioate Traditional Name: 2-(1-methyl-5-p-toluoyl-pyrrol-3-yl)malonic acid dimethyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2C)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2C)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H19NO5/c1-11-5-7-12(8-6-11)16(20)14-9-13(10-19(14)2)15(17(21)23-3)18(22)24-4/h5-10,15H,1-4H3