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

Systemtic Name: 3-[(hexylamino)methyl]-4a,5-dimethyl-4-oxidanyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Openeye Name: 3-[(hexylamino)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one CAS Name: 3-[(hexylamino)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one IUPAC Name: 3-[(hexylamino)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f][1]benzofuran-2-one Traditional Name: 3-[(hexylamino)methyl]-4-hydroxy-4a,5-dimethyl-3,3a,4,5,6,7,9,9a-octahydrobenzo[f]benzofuran-2-one Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1C2C(CC3=CCCC(C3(C2O)C)C)OC1=O

Isomeric SMILES

CCCCCCNCC1C2C(CC3=CCCC(C3(C2O)C)C)OC1=O

InChI

InChI=1S/C21H35NO3/c1-4-5-6-7-11-22-13-16-18-17(25-20(16)24)12-15-10-8-9-14(2)21(15,3)19(18)23/h10,14,16-19,22-23H,4-9,11-13H2,1-3H3