methyl 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate; 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: methyl 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate; 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: methyl 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate; 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate; 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid; 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O.CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)O.CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC

InChI

InChI=1S/C13H15NO3.C12H13NO3/c1-9-3-5-11(6-4-9)14-8-10(7-12(14)15)13(16)17-2;1-8-2-4-10(5-3-8)13-7-9(12(15)16)6-11(13)14/h3-6,10H,7-8H2,1-2H3;2-5,9H,6-7H2,1H3,(H,15,16)