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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO3/c1-15-8-10-17(3)19(12-15)23(27)14-29-25(28)24-18-6-4-5-7-21(18)26-22-11-9-16(2)13-20(22)24/h4-8,10,12,16H,9,11,13-14H2,1-3H3/t16-/m0/s1