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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3-bromophenyl)-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-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-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-(3-bromophenyl)-2-keto-ethyl] ester Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C27H28BrNO3/c1-4-27(2,3)18-12-13-23-21(15-18)25(20-10-5-6-11-22(20)29-23)26(31)32-16-24(30)17-8-7-9-19(28)14-17/h5-11,14,18H,4,12-13,15-16H2,1-3H3