2-[6,7-dimethoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[6,7-dimethoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-(2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-(2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-(2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-(2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OC)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OC)O)C

InChI

InChI=1S/C26H29NO5/c1-26(2)14-19(28)23(20(29)15-26)24-18-13-22(32-4)21(31-3)12-17(18)10-11-27(24)25(30)16-8-6-5-7-9-16/h5-9,12-13,24,28H,10-11,14-15H2,1-4H3