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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[(cyclohexylamino)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexylcarbamoyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H35BrFN3O5 MolecularWeight: 604.507703

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)NC3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)NC3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C29H35BrFN3O5/c1-3-39-28(36)22-16-24(27(35)32-17-18-9-12-20(31)13-10-18)34(29(37)33-21-7-5-4-6-8-21)26(22)19-11-14-25(38-2)23(30)15-19/h9-15,21-22,24,26H,3-8,16-17H2,1-2H3,(H,32,35)(H,33,37)