4-[2-(4-butylphenyl)ethynyl]-N-[(2,2-dimethyl-4-oxidanylidene-1,3-benzodioxin-6-yl)methyl]-N-hexyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC2=C(C=C1)OC(OC2=O)(C)C)C(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCCCN(CC1=CC2=C(C=C1)OC(OC2=O)(C)C)C(=O)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)CCCC

InChI

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