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

Systemtic Name: ethyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H34FN3O7 MolecularWeight: 555.594563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C29H34FN3O7/c1-3-40-29(36)22-16-24(27(34)31-17-18-9-12-21(30)13-10-18)32(28(35)19-7-5-4-6-8-19)26(22)20-11-14-25(39-2)23(15-20)33(37)38/h9-15,19,22,24,26H,3-8,16-17H2,1-2H3,(H,31,34)