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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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