2-azanyl-2-tert-butyl-8-(4-chloranylphenoxy)-4-[1-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-tert-butyl-8-(4-chloranylphenoxy)-4-[1-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-tert-butyl-8-(4-chlorophenoxy)-4-[1-(hydroxyamino)-2-oxo-ethyl]-3-oxo-octanoic acid CAS Name: 2-amino-2-tert-butyl-8-(4-chlorophenoxy)-4-[1-(hydroxyamino)-2-oxoethyl]-3-oxooctanoic acid IUPAC Name: 2-amino-2-tert-butyl-8-(4-chlorophenoxy)-4-[1-(hydroxyamino)-2-oxoethyl]-3-oxooctanoic acid Traditional Name: 2-amino-2-tert-butyl-8-(4-chlorophenoxy)-4-[1-(hydroxyamino)-2-keto-ethyl]-3-keto-caprylic acid Formula: C20H29ClN2O6 MolecularWeight: 428.90706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)C(CCCCOC1=CC=C(C=C1)Cl)C(C=O)NO)(C(=O)O)N

Isomeric SMILES

CC(C)(C)C(C(=O)C(CCCCOC1=CC=C(C=C1)Cl)C(C=O)NO)(C(=O)O)N

InChI

InChI=1S/C20H29ClN2O6/c1-19(2,3)20(22,18(26)27)17(25)15(16(12-24)23-28)6-4-5-11-29-14-9-7-13(21)8-10-14/h7-10,12,15-16,23,28H,4-6,11,22H2,1-3H3,(H,26,27)