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

Systemtic Name: 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one CAS Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 5-[3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-1-one Formula: C34H50N2O6 MolecularWeight: 582.7706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H25NO3/c2*1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h2*5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3