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

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H27BrFN3O7 MolecularWeight: 628.442983

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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)C3=CC(=CC=C3)Br)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)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C29H27BrFN3O7/c1-3-41-29(37)22-15-24(27(35)32-16-17-7-10-21(31)11-8-17)33(28(36)19-5-4-6-20(30)13-19)26(22)18-9-12-25(40-2)23(14-18)34(38)39/h4-14,22,24,26H,3,15-16H2,1-2H3,(H,32,35)