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

Systemtic Name: 1-[1-(3-ethoxy-4-oxidanyl-phenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenyl-propan-1-one Openeye Name: 1-[1-(3-ethoxy-4-hydroxy-phenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenyl-propan-1-one CAS Name: 1-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenyl-1-propanone IUPAC Name: 1-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylpropan-1-one Traditional Name: 1-[1-(3-ethoxy-4-hydroxy-phenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenyl-propan-1-one Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3CCCCC3(CCN2C(=O)CCC4=CC=CC=C4)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3CCCCC3(CCN2C(=O)CCC4=CC=CC=C4)O)O

InChI

InChI=1S/C26H33NO4/c1-2-31-23-18-20(12-13-22(23)28)25-21-10-6-7-15-26(21,30)16-17-27(25)24(29)14-11-19-8-4-3-5-9-19/h3-5,8-9,12-13,18,21,25,28,30H,2,6-7,10-11,14-17H2,1H3