ethyl 1-cyclohexylcarbonyl-2-(3,4-dichlorophenyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-cyclohexylcarbonyl-2-(3,4-dichlorophenyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-2-(3,4-dichlorophenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C28H31Cl2FN2O4 MolecularWeight: 549.461143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31Cl2FN2O4/c1-2-37-28(36)21-15-24(26(34)32-16-17-8-11-20(31)12-9-17)33(27(35)18-6-4-3-5-7-18)25(21)19-10-13-22(29)23(30)14-19/h8-14,18,21,24-25H,2-7,15-16H2,1H3,(H,32,34)