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

Systemtic Name: 2-(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[6,7-dimethoxy-2-(1-oxobutyl)-3,4-dihydro-1H-isoquinolin-1-yl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-(2-butyryl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2=CC(=C(C=C2C1C3=C(CC(CC3=O)(C)C)O)OC)OC

Isomeric SMILES

CCCC(=O)N1CCC2=CC(=C(C=C2C1C3=C(CC(CC3=O)(C)C)O)OC)OC

InChI

InChI=1S/C23H31NO5/c1-6-7-20(27)24-9-8-14-10-18(28-4)19(29-5)11-15(14)22(24)21-16(25)12-23(2,3)13-17(21)26/h10-11,22,25H,6-9,12-13H2,1-5H3