methyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)-4-phenylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C34H36FN3O7 MolecularWeight: 617.663943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(N2C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(C(N2C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C34H36FN3O7/c1-44-27-18-15-24(19-26(27)38(42)43)30-29(34(41)45-2)28(22-9-5-3-6-10-22)31(37(30)33(40)23-11-7-4-8-12-23)32(39)36-20-21-13-16-25(35)17-14-21/h3,5-6,9-10,13-19,23,28-31H,4,7-8,11-12,20H2,1-2H3,(H,36,39)