phenyl 2-cyano-4-ethyl-2-phenyl-octanoate

Systemtic Name: phenyl 2-cyano-4-ethyl-2-phenyl-octanoate Openeye Name: phenyl 2-cyano-4-ethyl-2-phenyl-octanoate CAS Name: 2-cyano-4-ethyl-2-phenyloctanoic acid phenyl ester IUPAC Name: phenyl 2-cyano-4-ethyl-2-phenyloctanoate Traditional Name: 2-cyano-4-ethyl-2-phenyl-caprylic acid phenyl ester Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C#N)(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CC(C#N)(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C23H27NO2/c1-3-5-12-19(4-2)17-23(18-24,20-13-8-6-9-14-20)22(25)26-21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,17H2,1-2H3