4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(methylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-(methylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(methylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(methylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(methylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(methylamino)phenyl]-4-keto-butyric acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-18(2,3)20-10-13(21)11-25-16-7-5-12(19-4)9-14(16)15(22)6-8-17(23)24/h5,7,9,13,19-21H,6,8,10-11H2,1-4H3,(H,23,24)