1-cyclohexylcarbonyl-3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-cyclohexylcarbonyl-3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[cyclohexyl(oxo)methyl]-3-(4-fluorophenyl)-2-methyl-4-[(3-methylphenyl)-oxomethyl]-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-m-toluoyl-5-(3-nitrophenyl)proline Formula: C33H33FN2O6 MolecularWeight: 572.623323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4)(C)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCCCC4)(C)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H33FN2O6/c1-20-8-6-12-24(18-20)30(37)27-28(21-14-16-25(34)17-15-21)33(2,32(39)40)35(31(38)22-9-4-3-5-10-22)29(27)23-11-7-13-26(19-23)36(41)42/h6-8,11-19,22,27-29H,3-5,9-10H2,1-2H3,(H,39,40)