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

Systemtic Name: methyl 1-(3-methylbutanoyl)-2-(4-methylphenyl)-5-piperazin-1-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(CC(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(CC(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C(=O)OC

InChI

InChI=1S/C23H33N3O4/c1-15(2)13-20(27)26-19(22(28)25-11-9-24-10-12-25)14-18(23(29)30-4)21(26)17-7-5-16(3)6-8-17/h5-8,15,18-19,21,24H,9-14H2,1-4H3