[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C27H22N2O6 MolecularWeight: 470.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H22N2O6/c1-29-25(24(18-7-3-2-4-8-18)19-9-5-6-10-20(19)26(29)31)27(32)33-15-23(30)28-14-17-11-12-21-22(13-17)35-16-34-21/h2-13H,14-16H2,1H3,(H,28,30)