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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-12-7-8-18-15(9-12)20(14-5-3-4-6-17(14)24-18)21(26)27-11-19(25)16(10-22)13(2)23/h3-6,12,16,23H,7-9,11H2,1-2H3/t12-,16-/m1/s1