bis(phenylmethyl) 4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-3-yl-cyclohexane-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-3-yl-cyclohexane-1,3-dicarboxylate Openeye Name: dibenzyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)cyclohexane-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-(3-pyridyl)cyclohexane-1,3-dicarboxylic acid dibenzyl ester Formula: C28H27NO6 MolecularWeight: 473.51708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1(CC(=O)C(C(C1C(=O)OCC2=CC=CC=C2)C3=CN=CC=C3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C28H27NO6/c1-28(33)15-22(30)24(26(31)34-17-19-9-4-2-5-10-19)23(21-13-8-14-29-16-21)25(28)27(32)35-18-20-11-6-3-7-12-20/h2-14,16,23-25,33H,15,17-18H2,1H3