[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2,3-bis(p-tolyl)quinoxaline-6-carboxylate CAS Name: 2,3-bis(4-methylphenyl)-6-quinoxalinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate Traditional Name: 2,3-bis(p-tolyl)quinoxaline-6-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C33H27N3O5 MolecularWeight: 545.58458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C6=CC=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)OCC(=O)NCC4=CC5=C(C=C4)OCO5)N=C2C6=CC=C(C=C6)C

InChI

InChI=1S/C33H27N3O5/c1-20-3-8-23(9-4-20)31-32(24-10-5-21(2)6-11-24)36-27-16-25(12-13-26(27)35-31)33(38)39-18-30(37)34-17-22-7-14-28-29(15-22)41-19-40-28/h3-16H,17-19H2,1-2H3,(H,34,37)