[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C20H20N2O4/c1-12(20(24)26-11-19(23)18(10-21)13(2)22)14-4-5-16-9-17(25-3)7-6-15(16)8-14/h4-9,12,18,22H,11H2,1-3H3/t12-,18-/m0/s1