methyl 1-(3-methylbutanoyl)-2-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(3-methylbutanoyl)-2-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-methylbutanoyl)-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate CAS Name: 1-(3-methyl-1-oxobutyl)-5-[oxo(1-piperazinyl)methyl]-2-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-methylbutanoyl)-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 1-isovaleryl-2-phenyl-5-(piperazine-1-carbonyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-15(2)13-19(26)25-18(21(27)24-11-9-23-10-12-24)14-17(22(28)29-3)20(25)16-7-5-4-6-8-16/h4-8,15,17-18,20,23H,9-14H2,1-3H3