6-[(4-dec-1-ynylphenyl)methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one

Systemtic Name: 6-[(4-dec-1-ynylphenyl)methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Openeye Name: 6-[(4-dec-1-ynylphenyl)methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one CAS Name: 6-[(4-dec-1-ynylphenyl)methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one IUPAC Name: 6-[(4-dec-1-ynylphenyl)methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Traditional Name: 6-[(4-dec-1-ynylbenzyl)amino]-2,2-dimethyl-1,3-benzodioxin-4-one Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)OC(OC3=O)(C)C

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC3=C(C=C2)OC(OC3=O)(C)C

InChI

InChI=1S/C27H33NO3/c1-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)20-28-23-17-18-25-24(19-23)26(29)31-27(2,3)30-25/h13-19,28H,4-10,20H2,1-3H3