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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C25H25NO3 MolecularWeight: 387.4709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)C)C

InChI

InChI=1S/C25H25NO3/c1-15-12-17(3)20(13-16(15)2)23(27)14-29-25(28)24-18-8-4-6-10-21(18)26-22-11-7-5-9-19(22)24/h4,6,8,10,12-13H,5,7,9,11,14H2,1-3H3