5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-[(2S,3S)-3-methyl-1-oxidanidyl-1-oxidanylidene-pentan-2-yl]-3-oxidanylidene-1H-isoindole-4-carboxylate

Systemtic Name: 5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-[(2S,3S)-3-methyl-1-oxidanidyl-1-oxidanylidene-pentan-2-yl]-3-oxidanylidene-1H-isoindole-4-carboxylate Openeye Name: 2-[(1S,2S)-1-carboxylato-2-methyl-butyl]-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-3-oxo-isoindoline-4-carboxylate CAS Name: 5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-[(2S,3S)-3-methyl-1-oxido-1-oxopentan-2-yl]-3-oxo-1H-isoindole-4-carboxylate IUPAC Name: 5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)-2-[(2S,3S)-3-methyl-1-oxido-1-oxopentan-2-yl]-3-oxo-1H-isoindole-4-carboxylate Traditional Name: 2-[(1S,2S)-1-carboxylato-2-methyl-butyl]-3-keto-5-methoxy-6-methyl-7-(3-methylbut-2-enoxy)isoindoline-4-carboxylate Formula: C22H27NO7-2 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])N1CC2=C(C(=C(C(=C2C1=O)C(=O)[O-])OC)C)OCC=C(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])N1CC2=C(C(=C(C(=C2C1=O)C(=O)[O-])OC)C)OCC=C(C)C

InChI

InChI=1S/C22H29NO7/c1-7-12(4)17(22(27)28)23-10-14-15(20(23)24)16(21(25)26)19(29-6)13(5)18(14)30-9-8-11(2)3/h8,12,17H,7,9-10H2,1-6H3,(H,25,26)(H,27,28)/p-2/t12-,17-/m0/s1