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

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

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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)O

Isomeric SMILES

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

InChI

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