phenyl 2-cyano-4-(dimethoxymethyl)octanoate

Systemtic Name: phenyl 2-cyano-4-(dimethoxymethyl)octanoate Openeye Name: phenyl 2-cyano-4-(dimethoxymethyl)octanoate CAS Name: 2-cyano-4-(dimethoxymethyl)octanoic acid phenyl ester IUPAC Name: phenyl 2-cyano-4-(dimethoxymethyl)octanoate Traditional Name: 2-cyano-4-(dimethoxymethyl)caprylic acid phenyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C#N)C(=O)OC1=CC=CC=C1)C(OC)OC

Isomeric SMILES

CCCCC(CC(C#N)C(=O)OC1=CC=CC=C1)C(OC)OC

InChI

InChI=1S/C18H25NO4/c1-4-5-9-14(18(21-2)22-3)12-15(13-19)17(20)23-16-10-7-6-8-11-16/h6-8,10-11,14-15,18H,4-5,9,12H2,1-3H3