[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(1,1-dimethylpropyl)-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-amyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-5-25(3,4)16-10-11-21-18(12-16)23(17-8-6-7-9-20(17)28-21)24(30)31-14-22(29)19(13-26)15(2)27/h6-9,16,19,27H,5,10-12,14H2,1-4H3/t16-,19-/m0/s1