4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one

Systemtic Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Openeye Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one CAS Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)-2-benzopyran-1-one IUPAC Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isochromen-1-one Traditional Name: 4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-3-(4-methoxyphenyl)isocoumarin Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=C(OC(=O)C3=CC(=C(C=C32)OC)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H25NO5/c1-29(2)20-11-6-18(7-12-20)8-15-22-23-16-25(32-4)26(33-5)17-24(23)28(30)34-27(22)19-9-13-21(31-3)14-10-19/h6-7,9-14,16-17H,1-5H3