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octyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate

octyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate

Systemtic Name:octyl 3-cyano-2-oxidanylidene-3-phenyl-propanoate
Openeye Name:octyl 3-cyano-2-oxo-3-phenyl-propanoate
CAS Name:3-cyano-2-oxo-3-phenylpropanoic acid octyl ester
IUPAC Name:octyl 3-cyano-2-oxo-3-phenylpropanoate
Traditional Name:3-cyano-2-keto-3-phenyl-propionic acid octyl ester
Formula: C18H23NO3
MolecularWeight: 301.38012
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(=O)C(C#N)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCOC(=O)C(=O)C(C#N)C1=CC=CC=C1


InChI

InChI=1S/C18H23NO3/c1-2-3-4-5-6-10-13-22-18(21)17(20)16(14-19)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13H2,1H3


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