[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25NO6/c1-2-3-4-11-26-18-8-6-17(7-9-18)22(25)27-14-21(24)23-13-16-5-10-19-20(12-16)29-15-28-19/h5-10,12H,2-4,11,13-15H2,1H3,(H,23,24)