[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic 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)C)OCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-11-4-5-12(2)16(8-11)22-7-6-17(21)23-10-15(20)14(9-18)13(3)19/h4-5,8,14,19H,6-7,10H2,1-3H3/t14-/m0/s1