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

Systemtic Name: 4-ethoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-ethoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(p-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-ethoxycarbonyl-2-methyl-1-(3-methyl-1-oxobutyl)-5-(4-methylphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-ethoxycarbonyl-2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbethoxy-1-isovaleryl-2-methyl-5-(p-tolyl)proline Formula: C21H29NO5 MolecularWeight: 375.45866

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-6-27-19(24)16-12-21(5,20(25)26)22(17(23)11-13(2)3)18(16)15-9-7-14(4)8-10-15/h7-10,13,16,18H,6,11-12H2,1-5H3,(H,25,26)