[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-methylphenoxy)butanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C17H20N2O4/c1-12-5-7-14(8-6-12)22-9-3-4-17(21)23-11-16(20)15(10-18)13(2)19/h5-8,15,19H,3-4,9,11H2,1-2H3/t15-/m0/s1