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

Systemtic Name: ethyl 1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclopropyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(cyclopropanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H28FN3O7 MolecularWeight: 513.514823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)C3CC3)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)C3CC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H28FN3O7/c1-3-37-26(33)19-13-21(24(31)28-14-15-4-9-18(27)10-5-15)29(25(32)16-6-7-16)23(19)17-8-11-22(36-2)20(12-17)30(34)35/h4-5,8-12,16,19,21,23H,3,6-7,13-14H2,1-2H3,(H,28,31)