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

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[cyclopropyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(cyclopropanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H28BrFN2O5 MolecularWeight: 547.413323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3CC3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3CC3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H28BrFN2O5/c1-3-35-26(33)19-13-21(24(31)29-14-15-4-9-18(28)10-5-15)30(25(32)16-6-7-16)23(19)17-8-11-22(34-2)20(27)12-17/h4-5,8-12,16,19,21,23H,3,6-7,13-14H2,1-2H3,(H,29,31)