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

Systemtic Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-3-phenyl-4-(phenylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-benzoyl-5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-3-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-benzoyl-5-(4-cyanophenyl)-1-(3,3-dimethyl-1-oxobutyl)-3-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-benzoyl-5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-3-phenylpyrrolidine-2-carboxylic acid Traditional Name: 4-benzoyl-5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-3-phenyl-proline Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H30N2O4/c1-31(2,3)18-24(34)33-27(22-16-14-20(19-32)15-17-22)26(29(35)23-12-8-5-9-13-23)25(28(33)30(36)37)21-10-6-4-7-11-21/h4-17,25-28H,18H2,1-3H3,(H,36,37)