oxiran-2-ylmethyl 6-cyano-2-ethyl-2-methyl-4-phenyl-heptanoate

Systemtic Name: oxiran-2-ylmethyl 6-cyano-2-ethyl-2-methyl-4-phenyl-heptanoate Openeye Name: oxiran-2-ylmethyl 6-cyano-2-ethyl-2-methyl-4-phenyl-heptanoate CAS Name: 6-cyano-2-ethyl-2-methyl-4-phenylheptanoic acid 2-oxiranylmethyl ester IUPAC Name: oxiran-2-ylmethyl 6-cyano-2-ethyl-2-methyl-4-phenylheptanoate Traditional Name: 6-cyano-2-ethyl-2-methyl-4-phenyl-enanthic acid glycidyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CC(C)C#N)C1=CC=CC=C1)C(=O)OCC2CO2

Isomeric SMILES

CCC(C)(CC(CC(C)C#N)C1=CC=CC=C1)C(=O)OCC2CO2

InChI

InChI=1S/C20H27NO3/c1-4-20(3,19(22)24-14-18-13-23-18)11-17(10-15(2)12-21)16-8-6-5-7-9-16/h5-9,15,17-18H,4,10-11,13-14H2,1-3H3