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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[cyclopropyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H27FN2O6 MolecularWeight: 482.500783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CC4)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CC4)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H27FN2O6/c1-2-33-26(32)19-12-20(24(30)28-13-15-3-8-18(27)9-4-15)29(25(31)16-5-6-16)23(19)17-7-10-21-22(11-17)35-14-34-21/h3-4,7-11,16,19-20,23H,2,5-6,12-14H2,1H3,(H,28,30)