4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid

Systemtic Name: 4b-ethyl-6-methyl-6,7-bis(oxidanyl)-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Openeye Name: 4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid CAS Name: 4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridinyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid IUPAC Name: 4b-ethyl-6,7-dihydroxy-6-methyl-7-pyridin-2-yl-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Traditional Name: 4b-ethyl-6,7-dihydroxy-6-methyl-7-(2-pyridyl)-8,8a,9,10-tetrahydro-5H-phenanthrene-2-carboxylic acid Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C(=O)O)(C4=CC=CC=N4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C(=O)O)(C4=CC=CC=N4)O)(C)O

InChI

InChI=1S/C23H27NO4/c1-3-22-14-21(2,27)23(28,19-6-4-5-11-24-19)13-17(22)9-7-15-12-16(20(25)26)8-10-18(15)22/h4-6,8,10-12,17,27-28H,3,7,9,13-14H2,1-2H3,(H,25,26)