3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one Openeye Name: 3-[2-(4-methoxyphenyl)ethyl]isochroman-1-one CAS Name: 3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[2-(4-methoxyphenyl)ethyl]isochroman-1-one Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H18O3/c1-20-15-9-6-13(7-10-15)8-11-16-12-14-4-2-3-5-17(14)18(19)21-16/h2-7,9-10,16H,8,11-12H2,1H3