4a-ethyl-3-methyl-7-[(2-methylpyridin-3-yl)methoxy]-2,3-bis(oxidanyl)-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one

Systemtic Name: 4a-ethyl-3-methyl-7-[(2-methylpyridin-3-yl)methoxy]-2,3-bis(oxidanyl)-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Openeye Name: 4a-ethyl-2,3-dihydroxy-3-methyl-7-[(2-methyl-3-pyridyl)methoxy]-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one CAS Name: 4a-ethyl-2,3-dihydroxy-3-methyl-7-[(2-methyl-3-pyridinyl)methoxy]-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one IUPAC Name: 4a-ethyl-2,3-dihydroxy-3-methyl-7-[(2-methylpyridin-3-yl)methoxy]-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Traditional Name: 4a-ethyl-2,3-dihydroxy-3-methyl-7-[(2-methyl-3-pyridyl)methoxy]-2-phenyl-1,4,10,10a-tetrahydrophenanthren-9-one Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CC(=O)C3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C5=CC=CC=C5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CC(=O)C3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C5=CC=CC=C5)O)(C)O

InChI

InChI=1S/C30H33NO4/c1-4-29-19-28(3,33)30(34,22-10-6-5-7-11-22)17-23(29)15-27(32)25-16-24(12-13-26(25)29)35-18-21-9-8-14-31-20(21)2/h5-14,16,23,33-34H,4,15,17-19H2,1-3H3