(E,3R,4S)-8,8-dimethoxy-4-methyl-5-oxidanylidene-3-phenylmethoxy-non-6-enenitrile

Systemtic Name: (E,3R,4S)-8,8-dimethoxy-4-methyl-5-oxidanylidene-3-phenylmethoxy-non-6-enenitrile Openeye Name: (E,3R,4S)-3-benzyloxy-8,8-dimethoxy-4-methyl-5-oxo-non-6-enenitrile CAS Name: (E,3R,4S)-8,8-dimethoxy-4-methyl-5-oxo-3-phenylmethoxy-6-nonenenitrile IUPAC Name: (E,3R,4S)-8,8-dimethoxy-4-methyl-5-oxo-3-phenylmethoxynon-6-enenitrile Traditional Name: (E,3R,4S)-3-benzoxy-5-keto-8,8-dimethoxy-4-methyl-non-6-enenitrile Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC#N)OCC1=CC=CC=C1)C(=O)C=CC(C)(OC)OC

Isomeric SMILES

C[C@@H]([C@@H](CC#N)OCC1=CC=CC=C1)C(=O)/C=C/C(C)(OC)OC

InChI

InChI=1S/C19H25NO4/c1-15(17(21)10-12-19(2,22-3)23-4)18(11-13-20)24-14-16-8-6-5-7-9-16/h5-10,12,15,18H,11,14H2,1-4H3/b12-10+/t15-,18-/m1/s1