[(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenyl-non-5-en-3,7-diynyl] 2-methoxyethanoate

Systemtic Name: [(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenyl-non-5-en-3,7-diynyl] 2-methoxyethanoate Openeye Name: [(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenyl-non-5-en-3,7-diynyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenylnon-5-en-3,7-diynyl] ester IUPAC Name: [(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenylnon-5-en-3,7-diynyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [(E)-1-cyano-9-methoxy-5-(methoxymethoxymethyl)-1-phenyl-non-5-en-3,7-diynyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC=C(COCOC)C#CCC(C#N)(C1=CC=CC=C1)OC(=O)COC

Isomeric SMILES

COCC#C/C=C(/COCOC)\C#CCC(C#N)(C1=CC=CC=C1)OC(=O)COC

InChI

InChI=1S/C23H25NO6/c1-26-15-8-7-10-20(16-29-19-28-3)11-9-14-23(18-24,30-22(25)17-27-2)21-12-5-4-6-13-21/h4-6,10,12-13H,14-17,19H2,1-3H3/b20-10+