[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C26H27NO3/c1-3-17-13-14-18(4-2)21(15-17)24(28)16-30-26(29)25-19-9-5-7-11-22(19)27-23-12-8-6-10-20(23)25/h5,7,9,11,13-15H,3-4,6,8,10,12,16H2,1-2H3