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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-1-nicotinoyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C28H27BrFN3O5 MolecularWeight: 584.433483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3=CN=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C28H27BrFN3O5/c1-3-38-28(36)21-14-23(26(34)32-15-17-6-9-20(30)10-7-17)33(27(35)19-5-4-12-31-16-19)25(21)18-8-11-24(37-2)22(29)13-18/h4-13,16,21,23,25H,3,14-15H2,1-2H3,(H,32,34)