4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]benzaldehyde

Systemtic Name: 4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]benzaldehyde Openeye Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]benzaldehyde CAS Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde IUPAC Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde Traditional Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]benzaldehyde Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=CC=C(C=C1)C=O)O

InChI

InChI=1S/C14H21NO3/c1-14(2,3)15-8-12(17)10-18-13-6-4-11(9-16)5-7-13/h4-7,9,12,15,17H,8,10H2,1-3H3/t12-/m0/s1