4-methoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-methoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-methoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(m-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-methoxycarbonyl-2-methyl-1-(3-methyl-1-oxobutyl)-5-(3-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-methoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(3-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-isovaleryl-2-methyl-5-(m-tolyl)proline Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-12(2)9-16(22)21-17(14-8-6-7-13(3)10-14)15(18(23)26-5)11-20(21,4)19(24)25/h6-8,10,12,15,17H,9,11H2,1-5H3,(H,24,25)