3-[(4-azanylphenoxy)methyl]-3-ethyl-2,2-bis(oxidanyl)pentanal

Systemtic Name: 3-[(4-azanylphenoxy)methyl]-3-ethyl-2,2-bis(oxidanyl)pentanal Openeye Name: 3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxy-pentanal CAS Name: 3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxypentanal IUPAC Name: 3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxypentanal Traditional Name: 3-[(4-aminophenoxy)methyl]-3-ethyl-2,2-dihydroxy-valeraldehyde Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4/c1-3-13(4-2,14(17,18)9-16)10-19-12-7-5-11(15)6-8-12/h5-9,17-18H,3-4,10,15H2,1-2H3