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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-1-(4-tert-butylphenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[(4-tert-butylphenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(4-tert-butylbenzoyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C33H36BrFN2O5 MolecularWeight: 639.551743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H36BrFN2O5/c1-6-42-32(40)25-18-27(30(38)36-19-20-7-14-24(35)15-8-20)37(29(25)22-11-16-28(41-5)26(34)17-22)31(39)21-9-12-23(13-10-21)33(2,3)4/h7-17,25,27,29H,6,18-19H2,1-5H3,(H,36,38)