[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C27H29BrN2O3 MolecularWeight: 509.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C3CC(CCC3=NC4=CC=CC=C42)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C3C[C@@H](CCC3=NC4=CC=CC=C42)C(C)(C)C)Br

InChI

InChI=1S/C27H29BrN2O3/c1-16-13-18(10-11-21(16)28)29-24(31)15-33-26(32)25-19-7-5-6-8-22(19)30-23-12-9-17(14-20(23)25)27(2,3)4/h5-8,10-11,13,17H,9,12,14-15H2,1-4H3,(H,29,31)/t17-/m1/s1