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

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C26H27BrN2O3 MolecularWeight: 495.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O3/c1-26(2,3)16-11-12-22-20(13-16)24(19-9-4-5-10-21(19)29-22)25(31)32-15-23(30)28-18-8-6-7-17(27)14-18/h4-10,14,16H,11-13,15H2,1-3H3,(H,28,30)/t16-/m0/s1