ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-1,4-dioxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-keto-4-(piperonylamino)butanoyl]isonipecotic acid ethyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H26N2O6/c1-2-26-20(25)15-7-9-22(10-8-15)19(24)6-5-18(23)21-12-14-3-4-16-17(11-14)28-13-27-16/h3-4,11,15H,2,5-10,12-13H2,1H3,(H,21,23)