ethyl 6-cyano-7-methyl-6-phenyl-octanoate

Systemtic Name: ethyl 6-cyano-7-methyl-6-phenyl-octanoate Openeye Name: ethyl 6-cyano-7-methyl-6-phenyl-octanoate CAS Name: 6-cyano-7-methyl-6-phenyloctanoic acid ethyl ester IUPAC Name: ethyl 6-cyano-7-methyl-6-phenyloctanoate Traditional Name: 6-cyano-7-methyl-6-phenyl-caprylic acid ethyl ester Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(C#N)(C1=CC=CC=C1)C(C)C

Isomeric SMILES

CCOC(=O)CCCCC(C#N)(C1=CC=CC=C1)C(C)C

InChI

InChI=1S/C18H25NO2/c1-4-21-17(20)12-8-9-13-18(14-19,15(2)3)16-10-6-5-7-11-16/h5-7,10-11,15H,4,8-9,12-13H2,1-3H3