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

Systemtic Name: 2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)-3-(4-nitrophenyl)-4-(phenylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-benzoyl-2-methyl-1-(3-methylbutanoyl)-3-(4-nitrophenyl)-5-(p-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-benzoyl-2-methyl-1-(3-methyl-1-oxobutyl)-5-(4-methylphenyl)-3-(4-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-benzoyl-2-methyl-1-(3-methylbutanoyl)-5-(4-methylphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-benzoyl-1-isovaleryl-2-methyl-3-(4-nitrophenyl)-5-(p-tolyl)proline Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)(C)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)(C)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O6/c1-19(2)18-25(34)32-28(22-12-10-20(3)11-13-22)26(29(35)23-8-6-5-7-9-23)27(31(32,4)30(36)37)21-14-16-24(17-15-21)33(38)39/h5-17,19,26-28H,18H2,1-4H3,(H,36,37)