methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-(3-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-1-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-3-(3-nitrophenyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-1-carboxylate Openeye Name: methyl 4-benzoyl-2-[(4-fluorophenyl)methylcarbamoyl]-3-(3-nitrophenyl)-5-(2-thienyl)pyrrolidine-1-carboxylate CAS Name: 4-benzoyl-2-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-(3-nitrophenyl)-5-thiophen-2-yl-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoyl-2-[(4-fluorophenyl)methylcarbamoyl]-3-(3-nitrophenyl)-5-thiophen-2-ylpyrrolidine-1-carboxylate Traditional Name: 4-benzoyl-2-[(4-fluorobenzyl)carbamoyl]-3-(3-nitrophenyl)-5-(2-thienyl)pyrrolidine-1-carboxylic acid methyl ester Formula: C31H26FN3O6S MolecularWeight: 587.618043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

COC(=O)N1C(C(C(C1C(=O)NCC2=CC=C(C=C2)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C31H26FN3O6S/c1-41-31(38)34-27(24-11-6-16-42-24)26(29(36)20-7-3-2-4-8-20)25(21-9-5-10-23(17-21)35(39)40)28(34)30(37)33-18-19-12-14-22(32)15-13-19/h2-17,25-28H,18H2,1H3,(H,33,37)