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

Systemtic Name: (E,3R,4S,5S)-4-methyl-8-oxidanylidene-3-phenylmethoxy-5-(phenylmethoxymethoxy)non-6-enenitrile Openeye Name: (E,3R,4S,5S)-3-benzyloxy-5-(benzyloxymethoxy)-4-methyl-8-oxo-non-6-enenitrile CAS Name: (E,3R,4S,5S)-4-methyl-8-oxo-3-phenylmethoxy-5-(phenylmethoxymethoxy)-6-nonenenitrile IUPAC Name: (E,3R,4S,5S)-4-methyl-8-oxo-3-phenylmethoxy-5-(phenylmethoxymethoxy)non-6-enenitrile Traditional Name: (E,3R,4S,5S)-3-benzoxy-5-(benzoxymethoxy)-8-keto-4-methyl-non-6-enenitrile Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC#N)OCC1=CC=CC=C1)C(C=CC(=O)C)OCOCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](CC#N)OCC1=CC=CC=C1)[C@H](/C=C/C(=O)C)OCOCC2=CC=CC=C2

InChI

InChI=1S/C25H29NO4/c1-20(27)13-14-24(30-19-28-17-22-9-5-3-6-10-22)21(2)25(15-16-26)29-18-23-11-7-4-8-12-23/h3-14,21,24-25H,15,17-19H2,1-2H3/b14-13+/t21-,24+,25-/m1/s1