O1-methyl O6-(6-oxidanylhexa-1,3,5-triynyl) 2-(3-cyanopentyl)-5-propyl-hexanedioate

Systemtic Name: O1-methyl O6-(6-oxidanylhexa-1,3,5-triynyl) 2-(3-cyanopentyl)-5-propyl-hexanedioate Openeye Name: O1-(6-hydroxyhexa-1,3,5-triynyl) O6-methyl 5-(3-cyanopentyl)-2-propyl-hexanedioate CAS Name: 5-(3-cyanopentyl)-2-propylhexanedioic acid O1-(6-hydroxyhexa-1,3,5-triynyl) ester O6-methyl ester IUPAC Name: 1-O-(6-hydroxyhexa-1,3,5-triynyl) 6-O-methyl 5-(3-cyanopentyl)-2-propylhexanedioate Traditional Name: 5-(3-cyanopentyl)-2-propyl-adipic acid O1-(6-hydroxyhexa-1,3,5-triynyl) ester O6-methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(CCC(CC)C#N)C(=O)OC)C(=O)OC#CC#CC#CO

Isomeric SMILES

CCCC(CCC(CCC(CC)C#N)C(=O)OC)C(=O)OC#CC#CC#CO

InChI

InChI=1S/C22H27NO5/c1-4-10-19(22(26)28-16-9-7-6-8-15-24)13-14-20(21(25)27-3)12-11-18(5-2)17-23/h18-20,24H,4-5,10-14H2,1-3H3