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

Systemtic Name: 1-(2-methoxyethanoyl)-2-methyl-5-(4-methylphenyl)-3-(4-nitrophenyl)-4-(phenylcarbonyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-benzoyl-1-(2-methoxyacetyl)-2-methyl-3-(4-nitrophenyl)-5-(p-tolyl)pyrrolidine-2-carboxylic acid CAS Name: 4-benzoyl-1-(2-methoxy-1-oxoethyl)-2-methyl-5-(4-methylphenyl)-3-(4-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-benzoyl-1-(2-methoxyacetyl)-2-methyl-5-(4-methylphenyl)-3-(4-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-benzoyl-1-(2-methoxyacetyl)-2-methyl-3-(4-nitrophenyl)-5-(p-tolyl)proline Formula: C29H28N2O7 MolecularWeight: 516.54182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H28N2O7/c1-18-9-11-20(12-10-18)26-24(27(33)21-7-5-4-6-8-21)25(19-13-15-22(16-14-19)31(36)37)29(2,28(34)35)30(26)23(32)17-38-3/h4-16,24-26H,17H2,1-3H3,(H,34,35)