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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-ethylphenyl)-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-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-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-ethylphenyl)-2-keto-ethyl] ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C3CC(CCC3=NC4=CC=CC=C42)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C3C[C@H](CCC3=NC4=CC=CC=C42)C(C)(C)C

InChI

InChI=1S/C28H31NO3/c1-5-18-10-12-19(13-11-18)25(30)17-32-27(31)26-21-8-6-7-9-23(21)29-24-15-14-20(16-22(24)26)28(2,3)4/h6-13,20H,5,14-17H2,1-4H3/t20-/m0/s1