[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate CAS Name: 2-[2-(1-cyclohexenyl)ethylamino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[2-(cyclohexen-1-yl)ethylamino]benzoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(=CC1)CCNC2=CC=CC=C2C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O5/c28-24(27-15-19-10-11-22-23(14-19)32-17-31-22)16-30-25(29)20-8-4-5-9-21(20)26-13-12-18-6-2-1-3-7-18/h4-6,8-11,14,26H,1-3,7,12-13,15-17H2,(H,27,28)