methyl (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)cyclotrideca-3,5,11-triene-1-carboxylate

Systemtic Name: methyl (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)cyclotrideca-3,5,11-triene-1-carboxylate Openeye Name: methyl (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)cyclotrideca-3,5,11-triene-1-carboxylate CAS Name: (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)-1-cyclotrideca-3,5,11-trienecarboxylic acid methyl ester IUPAC Name: methyl (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)cyclotrideca-3,5,11-triene-1-carboxylate Traditional Name: (3Z,5E,11Z)-1-cyano-7-(methoxymethoxy)cyclotrideca-3,5,11-triene-1-carboxylic acid methyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1CCCC=CCC(CC=CC=C1)(C#N)C(=O)OC

Isomeric SMILES

COCOC/1CCC/C=C\CC(C/C=C\C=C1)(C#N)C(=O)OC

InChI

InChI=1S/C18H25NO4/c1-21-15-23-16-10-6-3-4-8-12-18(14-19,17(20)22-2)13-9-5-7-11-16/h4-5,7-9,11,16H,3,6,10,12-13,15H2,1-2H3/b8-4-,9-5-,11-7+