N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)carbonyl-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)carbonyl-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide Traditional Name: 4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C28H27FN2O6 MolecularWeight: 506.522183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C28H27FN2O6/c1-34-20-8-9-21(25(12-20)35-2)22-14-31(28(33)18-4-6-19(29)7-5-18)15-23(22)27(32)30-13-17-3-10-24-26(11-17)37-16-36-24/h3-12,22-23H,13-16H2,1-2H3,(H,30,32)