methyl 3,5-ditert-butyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: methyl 3,5-ditert-butyl-4-oxidanylidene-1-(pyridin-3-ylmethyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: methyl 3,5-ditert-butyl-4-oxo-1-(3-pyridylmethyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 3,5-ditert-butyl-4-oxo-1-(3-pyridinylmethyl)-1-cyclohexa-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 3,5-ditert-butyl-4-oxo-1-(pyridin-3-ylmethyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 3,5-ditert-butyl-4-keto-1-(3-pyridylmethyl)cyclohexa-2,5-diene-1-carboxylic acid methyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C22H29NO3/c1-20(2,3)16-12-22(19(25)26-7,11-15-9-8-10-23-14-15)13-17(18(16)24)21(4,5)6/h8-10,12-14H,11H2,1-7H3