[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 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 [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 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 [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H40N2O3/c1-4-30(2,3)22-9-10-26-24(14-22)28(23-7-5-6-8-25(23)32-26)29(35)36-18-27(34)33-31-15-19-11-20(16-31)13-21(12-19)17-31/h5-8,19-22H,4,9-18H2,1-3H3,(H,33,34)