N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-homoveratryl-4-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)NCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C22H25NO4/c1-22(2,25)13-11-16-5-8-18(9-6-16)21(24)23-14-12-17-7-10-19(26-3)20(15-17)27-4/h5-10,15,25H,12,14H2,1-4H3,(H,23,24)