7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one

Systemtic Name: 7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-oxidanylpropyl)isochromen-1-one Openeye Name: 7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one CAS Name: 7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-hydroxypropyl)-2-benzopyran-1-one IUPAC Name: 7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-hydroxypropyl)isochromen-1-one Traditional Name: 7-[2-(4-dimethylaminophenyl)ethynyl]-3-(3-hydroxypropyl)isocoumarin Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C=C(OC3=O)CCCO

InChI

InChI=1S/C22H21NO3/c1-23(2)19-11-8-16(9-12-19)5-6-17-7-10-18-15-20(4-3-13-24)26-22(25)21(18)14-17/h7-12,14-15,24H,3-4,13H2,1-2H3