methyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(3,3-dimethylbutanoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(3,3-dimethylbutanoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(3,3-dimethylbutanoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-(3,3-dimethyl-1-oxobutyl)-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(3,3-dimethylbutanoyl)-2,4-diphenylpyrrolidine-3-carboxylate Traditional Name: 1-(3,3-dimethylbutanoyl)-2,4-diphenyl-5-(piperonylcarbamoyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C33H36N2O6 MolecularWeight: 556.64874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)CC(=O)N1C(C(C(C1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H36N2O6/c1-33(2,3)18-26(36)35-29(23-13-9-6-10-14-23)28(32(38)39-4)27(22-11-7-5-8-12-22)30(35)31(37)34-19-21-15-16-24-25(17-21)41-20-40-24/h5-17,27-30H,18-20H2,1-4H3,(H,34,37)