1-[1-(3-methoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one

Systemtic Name: 1-[1-(3-methoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one Openeye Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one CAS Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-butanone IUPAC Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one Traditional Name: 1-[4a-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCC2(CCCCC2C1C3=CC(=C(C=C3)O)OC)O

Isomeric SMILES

CCCC(=O)N1CCC2(CCCCC2C1C3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C20H29NO4/c1-3-6-18(23)21-12-11-20(24)10-5-4-7-15(20)19(21)14-8-9-16(22)17(13-14)25-2/h8-9,13,15,19,22,24H,3-7,10-12H2,1-2H3