(4-cyano-4-phenylmethoxy-cyclohexen-1-yl) ethanoate

Systemtic Name: (4-cyano-4-phenylmethoxy-cyclohexen-1-yl) ethanoate Openeye Name: (4-benzyloxy-4-cyano-cyclohexen-1-yl) acetate CAS Name: acetic acid (4-cyano-4-phenylmethoxy-1-cyclohexenyl) ester IUPAC Name: (4-cyano-4-phenylmethoxycyclohexen-1-yl) acetate Traditional Name: acetic acid (4-benzoxy-4-cyano-cyclohexen-1-yl) ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CCC(CC1)(C#N)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CCC(CC1)(C#N)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c1-13(18)20-15-7-9-16(12-17,10-8-15)19-11-14-5-3-2-4-6-14/h2-7H,8-11H2,1H3