12-oxidanyl-10-(3-pyridin-3-ylpropoxy)-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one

Systemtic Name: 12-oxidanyl-10-(3-pyridin-3-ylpropoxy)-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one Openeye Name: 12-hydroxy-10-[3-(3-pyridyl)propoxy]-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one CAS Name: 12-hydroxy-10-[3-(3-pyridinyl)propoxy]-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one IUPAC Name: 12-hydroxy-10-(3-pyridin-3-ylpropoxy)-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one Traditional Name: 12-hydroxy-10-[3-(3-pyridyl)propoxy]-3,4,4a,4b,5,6,7,8-octahydro-1H-triphenylen-2-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C3C=C(C=C(C3=C4CC(=O)CCC4C2C1)O)OCCCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C3C=C(C=C(C3=C4CC(=O)CCC4C2C1)O)OCCCC5=CN=CC=C5

InChI

InChI=1S/C26H29NO3/c28-18-9-10-22-20-7-1-2-8-21(20)24-14-19(15-25(29)26(24)23(22)13-18)30-12-4-6-17-5-3-11-27-16-17/h3,5,11,14-16,20,22,29H,1-2,4,6-10,12-13H2