ethyl 4-[1,3-benzodioxol-5-ylmethyl(3,3-dimethylbutanoyl)amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(3,3-dimethylbutanoyl)amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(3,3-dimethylbutanoyl)amino]piperidine-1-carboxylate CAS Name: 4-[1,3-benzodioxol-5-ylmethyl-(3,3-dimethyl-1-oxobutyl)amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1,3-benzodioxol-5-ylmethyl(3,3-dimethylbutanoyl)amino]piperidine-1-carboxylate Traditional Name: 4-[3,3-dimethylbutanoyl(piperonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)CC(C)(C)C

InChI

InChI=1S/C22H32N2O5/c1-5-27-21(26)23-10-8-17(9-11-23)24(20(25)13-22(2,3)4)14-16-6-7-18-19(12-16)29-15-28-18/h6-7,12,17H,5,8-11,13-15H2,1-4H3