(10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 8-oxidanylquinoline-2-carboxylate

Systemtic Name: (10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 8-oxidanylquinoline-2-carboxylate Openeye Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 8-hydroxyquinoline-2-carboxylate CAS Name: 8-hydroxy-2-quinolinecarboxylic acid (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester IUPAC Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) 8-hydroxyquinoline-2-carboxylate Traditional Name: 8-hydroxyquinaldic acid (3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)C4=NC5=C(C=CC=C5O)C=C4)CCC6=CC(=O)CCC36C

Isomeric SMILES

CC12CCC3C(C1CCC2OC(=O)C4=NC5=C(C=CC=C5O)C=C4)CCC6=CC(=O)CCC36C

InChI

InChI=1S/C29H33NO4/c1-28-14-12-19(31)16-18(28)7-8-20-21-9-11-25(29(21,2)15-13-22(20)28)34-27(33)23-10-6-17-4-3-5-24(32)26(17)30-23/h3-6,10,16,20-22,25,32H,7-9,11-15H2,1-2H3