ethyl 1-(3-methylbutanoyl)-2-(4-methylphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-(3-methylbutanoyl)-2-(4-methylphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(3-methylbutanoyl)-5-(piperazine-1-carbonyl)-2-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(3-methyl-1-oxobutyl)-2-(4-methylphenyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutanoyl)-2-(4-methylphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 1-isovaleryl-5-(piperazine-1-carbonyl)-2-(p-tolyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)C)C(=O)CC(C)C)C(=O)N3CCNCC3

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)C)C(=O)CC(C)C)C(=O)N3CCNCC3

InChI

InChI=1S/C24H35N3O4/c1-5-31-24(30)19-15-20(23(29)26-12-10-25-11-13-26)27(21(28)14-16(2)3)22(19)18-8-6-17(4)7-9-18/h6-9,16,19-20,22,25H,5,10-15H2,1-4H3