[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H30N4O3/c1-26(2,3)18-10-11-22-20(16-18)24(19-8-4-5-9-21(19)29-22)25(32)33-17-23(31)30(14-6-12-27)15-7-13-28/h4-5,8-9,18H,6-7,10-11,14-17H2,1-3H3