methyl 5-[[4-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptan-4-yl)carbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(OC2=O)C(=O)NC3=CN(N=C3)CC4=CC=C(O4)C(=O)OC)C)C

Isomeric SMILES

CC1(C2(CCC1(OC2=O)C(=O)NC3=CN(N=C3)CC4=CC=C(O4)C(=O)OC)C)C

InChI

InChI=1S/C20H23N3O6/c1-18(2)19(3)7-8-20(18,29-17(19)26)16(25)22-12-9-21-23(10-12)11-13-5-6-14(28-13)15(24)27-4/h5-6,9-10H,7-8,11H2,1-4H3,(H,22,25)