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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl] furan-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-(p-tolyl)ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methylphenyl)-2-oxoethyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-keto-2-(piperonylamino)-1-(p-tolyl)ethyl] ester Formula: C22H19NO6 MolecularWeight: 393.38936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NCC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NCC2=CC3=C(C=C2)OCO3)OC(=O)C4=CC=CO4

InChI

InChI=1S/C22H19NO6/c1-14-4-7-16(8-5-14)20(29-22(25)18-3-2-10-26-18)21(24)23-12-15-6-9-17-19(11-15)28-13-27-17/h2-11,20H,12-13H2,1H3,(H,23,24)