10-oxidanyl-9-(3-oxidanylidenebutyl)-3-(3-pyridin-3-ylpropoxy)-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one

Systemtic Name: 10-oxidanyl-9-(3-oxidanylidenebutyl)-3-(3-pyridin-3-ylpropoxy)-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one Openeye Name: 10-hydroxy-9-(3-oxobutyl)-3-[3-(3-pyridyl)propoxy]-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one CAS Name: 10-hydroxy-9-(3-oxobutyl)-3-[3-(3-pyridinyl)propoxy]-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one IUPAC Name: 10-hydroxy-9-(3-oxobutyl)-3-(3-pyridin-3-ylpropoxy)-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one Traditional Name: 10-hydroxy-9-(3-ketobutyl)-3-[3-(3-pyridyl)propoxy]-4a,4b,5,6,7,8-hexahydro-4H-phenanthren-1-one Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=C2CCCCC2C3CC(=CC(=O)C3=C1O)OCCCC4=CN=CC=C4

Isomeric SMILES

CC(=O)CCC1=C2CCCCC2C3CC(=CC(=O)C3=C1O)OCCCC4=CN=CC=C4

InChI

InChI=1S/C26H31NO4/c1-17(28)10-11-22-20-8-2-3-9-21(20)23-14-19(15-24(29)25(23)26(22)30)31-13-5-7-18-6-4-12-27-16-18/h4,6,12,15-16,21,23,30H,2-3,5,7-11,13-14H2,1H3