tert-butyl 4-butyl-2-(3-methyl-1-oxidanyl-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl)-4H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-butyl-2-(3-methyl-1-oxidanyl-4-oxidanylidene-2-propan-2-yloxy-cyclobut-2-en-1-yl)-4H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-butyl-2-(1-hydroxy-2-isopropoxy-3-methyl-4-oxo-cyclobut-2-en-1-yl)-4H-pyridine-1-carboxylate CAS Name: 4-butyl-2-(1-hydroxy-3-methyl-4-oxo-2-propan-2-yloxy-1-cyclobut-2-enyl)-4H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butyl-2-(1-hydroxy-3-methyl-4-oxo-2-propan-2-yloxycyclobut-2-en-1-yl)-4H-pyridine-1-carboxylate Traditional Name: 4-butyl-2-(1-hydroxy-2-isopropoxy-4-keto-3-methyl-cyclobut-2-en-1-yl)-4H-pyridine-1-carboxylic acid tert-butyl ester Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=CN(C(=C1)C2(C(=C(C2=O)C)OC(C)C)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1C=CN(C(=C1)C2(C(=C(C2=O)C)OC(C)C)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33NO5/c1-8-9-10-16-11-12-23(20(25)28-21(5,6)7)17(13-16)22(26)18(24)15(4)19(22)27-14(2)3/h11-14,16,26H,8-10H2,1-7H3