2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-pentoxy-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-5-pentoxy-3,4-dihydroisoquinolin-1-one Openeye Name: 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-pentoxy-3,4-dihydroisoquinolin-1-one CAS Name: 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-pentoxy-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-5-pentoxy-3,4-dihydroisoquinolin-1-one Traditional Name: 5-amoxy-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3,4-dihydroisocarbostyril Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC2=C1CCN(C2=O)CCC3=CC=C(C=C3)O)O

Isomeric SMILES

CCCCCOC1=C(C=CC2=C1CCN(C2=O)CCC3=CC=C(C=C3)O)O

InChI

InChI=1S/C22H27NO4/c1-2-3-4-15-27-21-18-12-14-23(22(26)19(18)9-10-20(21)25)13-11-16-5-7-17(24)8-6-16/h5-10,24-25H,2-4,11-15H2,1H3