4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)benzoic acid

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(4-oxidanyl-4-oxidanylidene-butanoyl)benzoic acid Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(4-hydroxy-4-oxo-butanoyl)benzoic acid CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(4-hydroxy-1,4-dioxobutyl)benzoic acid IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(4-hydroxy-4-oxobutanoyl)benzoic acid Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(4-hydroxy-4-keto-butanoyl)benzoic acid Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)O)C(=O)CCC(=O)O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)C(=O)O)C(=O)CCC(=O)O)O

InChI

InChI=1S/C18H25NO7/c1-18(2,3)19-9-12(20)10-26-15-6-4-11(17(24)25)8-13(15)14(21)5-7-16(22)23/h4,6,8,12,19-20H,5,7,9-10H2,1-3H3,(H,22,23)(H,24,25)