[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4/c1-11-8-13(18)5-6-16(11)23-7-3-4-17(22)24-10-15(21)14(9-19)12(2)20/h5-6,8,14,20H,3-4,7,10H2,1-2H3/t14-/m1/s1