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

Systemtic Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(3-methyl-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-3-methyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-isovaleryl-3-methyl-proline Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(C1C(=O)O)C(=O)CC(C)C)C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1C(C(N(C1C(=O)O)C(=O)CC(C)C)C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C20H24N2O5/c1-11(2)9-15(23)22-17(19(24)25)12(3)16(20(26)27-4)18(22)14-7-5-13(10-21)6-8-14/h5-8,11-12,16-18H,9H2,1-4H3,(H,24,25)