methyl 2-(4-methylphenyl)-5-piperazin-1-ylcarbonyl-1-(propylcarbamoyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)-5-piperazin-1-ylcarbonyl-1-(propylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)-2-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-methylphenyl)-5-[oxo(1-piperazinyl)methyl]-1-[oxo(propylamino)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)-5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 5-(piperazine-1-carbonyl)-1-(propylcarbamoyl)-2-(p-tolyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(CC(C1C2=CC=C(C=C2)C)C(=O)OC)C(=O)N3CCNCC3

Isomeric SMILES

CCCNC(=O)N1C(CC(C1C2=CC=C(C=C2)C)C(=O)OC)C(=O)N3CCNCC3

InChI

InChI=1S/C22H32N4O4/c1-4-9-24-22(29)26-18(20(27)25-12-10-23-11-13-25)14-17(21(28)30-3)19(26)16-7-5-15(2)6-8-16/h5-8,17-19,23H,4,9-14H2,1-3H3,(H,24,29)