[(1S)-2-oxidanylidenecyclohexyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OC4CCCCC4=O

Isomeric SMILES

C[C@H]1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)O[C@H]4CCCCC4=O

InChI

InChI=1S/C21H23NO3/c1-13-10-11-17-15(12-13)20(14-6-2-3-7-16(14)22-17)21(24)25-19-9-5-4-8-18(19)23/h2-3,6-7,13,19H,4-5,8-12H2,1H3/t13-,19-/m0/s1