6-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one

Systemtic Name: 6-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Openeye Name: 6-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one CAS Name: 6-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one IUPAC Name: 6-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Traditional Name: 6-[[4-[2-(4-butylphenyl)ethynyl]benzyl]amino]-2,2-dimethyl-1,3-benzodioxin-4-one Formula: C29H29NO3 MolecularWeight: 439.54546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=CC4=C(C=C3)OC(OC4=O)(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)CNC3=CC4=C(C=C3)OC(OC4=O)(C)C

InChI

InChI=1S/C29H29NO3/c1-4-5-6-21-7-9-22(10-8-21)11-12-23-13-15-24(16-14-23)20-30-25-17-18-27-26(19-25)28(31)33-29(2,3)32-27/h7-10,13-19,30H,4-6,20H2,1-3H3