(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C2CC(CCC2=NC3=CC=CC=C31)C(C)(C)C

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C2C[C@H](CCC2=NC3=CC=CC=C31)C(C)(C)C

InChI

InChI=1S/C24H27N3O3/c1-14(26)18(12-25)21(28)13-30-23(29)22-16-7-5-6-8-19(16)27-20-10-9-15(11-17(20)22)24(2,3)4/h5-8,15,18,26H,9-11,13H2,1-4H3/t15-,18?/m0/s1