(4-cyanophenyl)methyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(1,1-dimethylpropyl)-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-amyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (4-cyanobenzyl) ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H28N2O2/c1-4-27(2,3)20-13-14-24-22(15-20)25(21-7-5-6-8-23(21)29-24)26(30)31-17-19-11-9-18(16-28)10-12-19/h5-12,20H,4,13-15,17H2,1-3H3