N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-N-hexyl-2,2-dimethyl-4-oxidanylidene-1,3-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-N-hexyl-2,2-dimethyl-4-oxidanylidene-1,3-benzodioxine-6-carboxamide Openeye Name: N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-N-hexyl-2,2-dimethyl-4-oxo-1,3-benzodioxine-6-carboxamide CAS Name: N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-N-hexyl-2,2-dimethyl-4-oxo-1,3-benzodioxin-6-carboxamide IUPAC Name: N-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl]-N-hexyl-2,2-dimethyl-4-oxo-1,3-benzodioxine-6-carboxamide Traditional Name: N-[4-[2-(4-butylphenyl)ethynyl]benzyl]-N-hexyl-4-keto-2,2-dimethyl-1,3-benzodioxin-6-carboxamide Formula: C36H41NO4 MolecularWeight: 551.71504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C(=O)C3=CC4=C(C=C3)OC(OC4=O)(C)C

Isomeric SMILES

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C(=O)C3=CC4=C(C=C3)OC(OC4=O)(C)C

InChI

InChI=1S/C36H41NO4/c1-5-7-9-10-24-37(34(38)31-22-23-33-32(25-31)35(39)41-36(3,4)40-33)26-30-20-18-29(19-21-30)17-16-28-14-12-27(13-15-28)11-8-6-2/h12-15,18-23,25H,5-11,24,26H2,1-4H3