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

Systemtic Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitro-phenyl)-4-phenyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxy-3-nitrophenyl)-1-[oxo(3-pyridinyl)methyl]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxy-3-nitrophenyl)-4-phenyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxy-3-nitro-phenyl)-1-nicotinoyl-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C33H29FN4O7 MolecularWeight: 612.604363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(N2C(=O)C3=CN=CC=C3)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)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C33H29FN4O7/c1-44-26-15-12-22(17-25(26)38(42)43)29-28(33(41)45-2)27(21-7-4-3-5-8-21)30(37(29)32(40)23-9-6-16-35-19-23)31(39)36-18-20-10-13-24(34)14-11-20/h3-17,19,27-30H,18H2,1-2H3,(H,36,39)