4a,5-dimethyl-3-[[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one

Systemtic Name: 4a,5-dimethyl-3-[[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Openeye Name: 4-hydroxy-3-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one CAS Name: 4-hydroxy-3-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one IUPAC Name: 4-hydroxy-3-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Traditional Name: 4-hydroxy-3-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN(C)CC(C4=CC=CC=C4)O)O)C

Isomeric SMILES

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN(C)CC(C4=CC=CC=C4)O)O)C

InChI

InChI=1S/C24H33NO4/c1-15-8-7-11-17-12-20-21(22(27)24(15,17)2)18(23(28)29-20)13-25(3)14-19(26)16-9-5-4-6-10-16/h4-6,9-11,15,18-22,26-27H,7-8,12-14H2,1-3H3