7-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one

Systemtic Name: 7-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Openeye Name: 7-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one CAS Name: 7-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one IUPAC Name: 7-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methylamino]-2,2-dimethyl-1,3-benzodioxin-4-one Traditional Name: 7-[[4-[2-(4-methoxyphenyl)ethynyl]benzyl]amino]-2,2-dimethyl-1,3-benzodioxin-4-one Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(C=CC(=C2)NCC3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC)C(=O)O1)C

Isomeric SMILES

CC1(OC2=C(C=CC(=C2)NCC3=CC=C(C=C3)C#CC4=CC=C(C=C4)OC)C(=O)O1)C

InChI

InChI=1S/C26H23NO4/c1-26(2)30-24-16-21(12-15-23(24)25(28)31-26)27-17-20-8-6-18(7-9-20)4-5-19-10-13-22(29-3)14-11-19/h6-16,27H,17H2,1-3H3