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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenylpyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C34H35FN2O6 MolecularWeight: 586.649903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CCCCC4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C34H35FN2O6/c1-41-34(40)29-28(22-8-4-2-5-9-22)31(32(38)36-19-21-12-15-25(35)16-13-21)37(33(39)23-10-6-3-7-11-23)30(29)24-14-17-26-27(18-24)43-20-42-26/h2,4-5,8-9,12-18,23,28-31H,3,6-7,10-11,19-20H2,1H3,(H,36,38)