5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-pyrrolidine-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)O

InChI

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