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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3-bromophenyl)-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-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-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-(3-bromophenyl)-2-keto-ethyl] ester Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrNO3/c1-26(2,3)17-11-12-22-20(14-17)24(19-9-4-5-10-21(19)28-22)25(30)31-15-23(29)16-7-6-8-18(27)13-16/h4-10,13,17H,11-12,14-15H2,1-3H3