2-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-methyl-propanal

Systemtic Name: 2-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]-2-methyl-propanal Openeye Name: 2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methyl-propanal CAS Name: 2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropanal IUPAC Name: 2-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]-2-methylpropanal Traditional Name: 2-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]-2-methyl-propionaldehyde Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=O)NCC(C1=CC(=C(C=C1)O)CO)O

Isomeric SMILES

CC(C)(C=O)NCC(C1=CC(=C(C=C1)O)CO)O

InChI

InChI=1S/C13H19NO4/c1-13(2,8-16)14-6-12(18)9-3-4-11(17)10(5-9)7-15/h3-5,8,12,14-15,17-18H,6-7H2,1-2H3