2-[1-(3,4-dimethoxyphenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-4a-oxidanyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-1-pyrrolidino-ethanone Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3CCCCC3(CCN2CC(=O)N4CCCC4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3CCCCC3(CCN2CC(=O)N4CCCC4)O)OC

InChI

InChI=1S/C23H34N2O4/c1-28-19-9-8-17(15-20(19)29-2)22-18-7-3-4-10-23(18,27)11-14-25(22)16-21(26)24-12-5-6-13-24/h8-9,15,18,22,27H,3-7,10-14,16H2,1-2H3