7-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2,2-dimethyl-1,3-benzodioxin-4-one

Systemtic Name: 7-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2,2-dimethyl-1,3-benzodioxin-4-one Openeye Name: 7-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexyl-amino]-2,2-dimethyl-1,3-benzodioxin-4-one CAS Name: 7-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexylamino]-2,2-dimethyl-1,3-benzodioxin-4-one IUPAC Name: 7-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-hexylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Traditional Name: 7-[[4-[2-(4-butylphenyl)ethynyl]benzyl]-hexyl-amino]-2,2-dimethyl-1,3-benzodioxin-4-one Formula: C35H41NO3 MolecularWeight: 523.70494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC4=C(C=C3)C(=O)OC(O4)(C)C

Isomeric SMILES

CCCCCCN(CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CCCC)C3=CC4=C(C=C3)C(=O)OC(O4)(C)C

InChI

InChI=1S/C35H41NO3/c1-5-7-9-10-24-36(31-22-23-32-33(25-31)38-35(3,4)39-34(32)37)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