N-[4-(3-azanyl-5-methyl-2-oxidanyl-hept-6-ynoxy)-3-cyano-phenyl]octanamide

Systemtic Name: N-[4-(3-azanyl-5-methyl-2-oxidanyl-hept-6-ynoxy)-3-cyano-phenyl]octanamide Openeye Name: N-[4-(3-amino-2-hydroxy-5-methyl-hept-6-ynoxy)-3-cyano-phenyl]octanamide CAS Name: N-[4-(3-amino-2-hydroxy-5-methylhept-6-ynoxy)-3-cyanophenyl]octanamide IUPAC Name: N-[4-(3-amino-2-hydroxy-5-methylhept-6-ynoxy)-3-cyanophenyl]octanamide Traditional Name: N-[4-(3-amino-2-hydroxy-5-methyl-hept-6-ynoxy)-3-cyano-phenyl]caprylamide Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(C=C1)OCC(C(CC(C)C#C)N)O)C#N

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)OCC(C(CC(C)C#C)N)O)C#N

InChI

InChI=1S/C23H33N3O3/c1-4-6-7-8-9-10-23(28)26-19-11-12-22(18(14-19)15-24)29-16-21(27)20(25)13-17(3)5-2/h2,11-12,14,17,20-21,27H,4,6-10,13,16,25H2,1,3H3,(H,26,28)