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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H34BrFN2O5 MolecularWeight: 589.493063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C29H34BrFN2O5/c1-3-38-29(36)22-16-24(27(34)32-17-18-9-12-21(31)13-10-18)33(28(35)19-7-5-4-6-8-19)26(22)20-11-14-25(37-2)23(30)15-20/h9-15,19,22,24,26H,3-8,16-17H2,1-2H3,(H,32,34)