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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H33FN2O6 MolecularWeight: 524.580523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C29H33FN2O6/c1-2-36-29(35)22-15-23(27(33)31-16-18-8-11-21(30)12-9-18)32(28(34)19-6-4-3-5-7-19)26(22)20-10-13-24-25(14-20)38-17-37-24/h8-14,19,22-23,26H,2-7,15-17H2,1H3,(H,31,33)