tert-butyl 5-[2,6-dimethyl-4-(oxaldehydoyloxyamino)phenoxy]-3-pentyl-indazole-1-carboxylate

Systemtic Name: tert-butyl 5-[2,6-dimethyl-4-(oxaldehydoyloxyamino)phenoxy]-3-pentyl-indazole-1-carboxylate Openeye Name: tert-butyl 5-[2,6-dimethyl-4-(oxaldehydoyloxyamino)phenoxy]-3-pentyl-indazole-1-carboxylate CAS Name: 5-[2,6-dimethyl-4-(oxaldehydoyloxyamino)phenoxy]-3-pentyl-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[2,6-dimethyl-4-(oxaldehydoyloxyamino)phenoxy]-3-pentylindazole-1-carboxylate Traditional Name: 3-amyl-5-[4-(glyoxyloyloxyamino)-2,6-dimethyl-phenoxy]indazole-1-carboxylic acid tert-butyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN(C2=C1C=C(C=C2)OC3=C(C=C(C=C3C)NOC(=O)C=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1=NN(C2=C1C=C(C=C2)OC3=C(C=C(C=C3C)NOC(=O)C=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O6/c1-7-8-9-10-22-21-15-20(11-12-23(21)30(28-22)26(33)35-27(4,5)6)34-25-17(2)13-19(14-18(25)3)29-36-24(32)16-31/h11-16,29H,7-10H2,1-6H3