N-heptyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-heptyl-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-heptyl-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-heptyl-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-heptyl-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)C1=CC=C(C=C1)C#CC(C)(C)O

Isomeric SMILES

CCCCCCCNC(=O)C1=CC=C(C=C1)C#CC(C)(C)O

InChI

InChI=1S/C19H27NO2/c1-4-5-6-7-8-15-20-18(21)17-11-9-16(10-12-17)13-14-19(2,3)22/h9-12,22H,4-8,15H2,1-3H3,(H,20,21)