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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(2-methylphenoxy)propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(2-methylphenoxy)propanoate CAS Name: 3-(2-methylphenoxy)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(2-methylphenoxy)propanoate Traditional Name: 3-(2-methylphenoxy)propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O4/c1-11-5-3-4-6-15(11)21-8-7-16(20)22-10-14(19)13(9-17)12(2)18/h3-6,13,18H,7-8,10H2,1-2H3/t13-/m0/s1