5-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-naphthalen-1-one; methylboronic acid

Systemtic Name: 5-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-naphthalen-1-one; methylboronic acid Openeye Name: 5-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one; methylboronic acid CAS Name: 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one; methylboronic acid IUPAC Name: 5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one; methylboronic acid Traditional Name: 5-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one; methylboronic acid Formula: C18H30BNO5 MolecularWeight: 351.2455

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(O)O.CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O

Isomeric SMILES

B(C)(O)O.CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O

InChI

InChI=1S/C17H25NO3.CH5BO2/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;1-2(3)4/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;3-4H,1H3/t12-;/m0./s1