[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClNO5/c22-16-5-3-15(4-6-16)21(8-1-9-21)20(25)26-12-19(24)23-11-14-2-7-17-18(10-14)28-13-27-17/h2-7,10H,1,8-9,11-13H2,(H,23,24)