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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-1-nicotinoyl-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C33H29BrFN3O5 MolecularWeight: 646.502863

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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)Br

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)Br

InChI

InChI=1S/C33H29BrFN3O5/c1-42-26-15-12-22(17-25(26)34)29-28(33(41)43-2)27(21-7-4-3-5-8-21)30(38(29)32(40)23-9-6-16-36-19-23)31(39)37-18-20-10-13-24(35)14-11-20/h3-17,19,27-30H,18H2,1-2H3,(H,37,39)