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

Systemtic Name: 4a,5-dimethyl-4-oxidanyl-3-[[(2-oxidanylcyclohexyl)-(phenylmethyl)amino]methyl]-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Openeye Name: 3-[[benzyl-(2-hydroxycyclohexyl)amino]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one CAS Name: 4-hydroxy-3-[[(2-hydroxycyclohexyl)-(phenylmethyl)amino]methyl]-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one IUPAC Name: 3-[[benzyl-(2-hydroxycyclohexyl)amino]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Traditional Name: 3-[[benzyl-(2-hydroxycyclohexyl)amino]methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN(CC4=CC=CC=C4)C5CCCCC5O)O)C

Isomeric SMILES

CC1CCC=C2C1(C(C3C(C2)OC(=O)C3CN(CC4=CC=CC=C4)C5CCCCC5O)O)C

InChI

InChI=1S/C28H39NO4/c1-18-9-8-12-20-15-24-25(26(31)28(18,20)2)21(27(32)33-24)17-29(16-19-10-4-3-5-11-19)22-13-6-7-14-23(22)30/h3-5,10-12,18,21-26,30-31H,6-9,13-17H2,1-2H3