2-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-3-oxidanyl-3H-isoquinolin-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-3-oxidanyl-3H-isoquinolin-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-homoveratryl-3-hydroxy-4,4-dimethyl-3H-isoquinolin-1-one Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC=CC=C21)CCC3=CC(=C(C=C3)OC)OC)O)C

Isomeric SMILES

CC1(C(N(C(=O)C2=CC=CC=C21)CCC3=CC(=C(C=C3)OC)OC)O)C

InChI

InChI=1S/C21H25NO4/c1-21(2)16-8-6-5-7-15(16)19(23)22(20(21)24)12-11-14-9-10-17(25-3)18(13-14)26-4/h5-10,13,20,24H,11-12H2,1-4H3