[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O5/c1-15-7-9-21-19(11-15)24(18-5-3-4-6-20(18)28-21)26(30)33-16(2)25(29)27-13-17-8-10-22-23(12-17)32-14-31-22/h3-6,8,10,12,15-16H,7,9,11,13-14H2,1-2H3,(H,27,29)