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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-(3-methylphenoxy)propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-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=C1)OCCC(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4/c1-11-4-3-5-13(8-11)21-7-6-16(20)22-10-15(19)14(9-17)12(2)18/h3-5,8,14,18H,6-7,10H2,1-2H3/t14-/m0/s1