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

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-fluorophenyl)-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-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-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-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C26H26FNO3 MolecularWeight: 419.487943

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C26H26FNO3/c1-26(2,3)17-10-13-22-20(14-17)24(19-6-4-5-7-21(19)28-22)25(30)31-15-23(29)16-8-11-18(27)12-9-16/h4-9,11-12,17H,10,13-15H2,1-3H3/t17-/m0/s1