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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H26N2O5/c1-3-7-19-17(4-2)24(18-8-5-6-9-20(18)27-19)25(29)30-14-23(28)26-13-16-10-11-21-22(12-16)32-15-31-21/h5-6,8-12H,3-4,7,13-15H2,1-2H3,(H,26,28)