[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C20H21N3O3/c1-13-7-8-17-15(11-13)19(14-5-2-3-6-16(14)23-17)20(25)26-12-18(24)22-10-4-9-21/h2-3,5-6,13H,4,7-8,10-12H2,1H3,(H,22,24)