[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23NO5/c24-20(23-13-16-8-9-18-19(12-16)28-15-27-18)14-26-21(25)22(10-4-5-11-22)17-6-2-1-3-7-17/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,23,24)