3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-isochromen-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-isochromen-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-isochromen-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxyisochromen-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-4-[2-(4-dimethylaminophenyl)ethynyl]-6,7-dimethoxy-isocoumarin Formula: C29H27NO6 MolecularWeight: 485.52778

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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(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H27NO6/c1-30(2)20-10-7-18(8-11-20)9-12-23-24-16-26(34-5)27(35-6)17-25(24)29(31)36-28(23)19-13-21(32-3)15-22(14-19)33-4/h7-8,10-11,13-17H,1-6H3