2-[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]-3,4-dihydroisocarbostyril Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2CCC3=CC=CC=C3C2=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CN2CCC3=CC=CC=C3C2=O)O)OC

InChI

InChI=1S/C19H21NO4/c1-23-17-8-7-14(11-18(17)24-2)16(21)12-20-10-9-13-5-3-4-6-15(13)19(20)22/h3-8,11,16,21H,9-10,12H2,1-2H3