4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one

Systemtic Name: 4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one Openeye Name: 4'-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[cyclohexane-1,2'-indane]-1'-one CAS Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1-spiro[3H-indene-2,1'-cyclohexane]one IUPAC Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]spiro[3H-indene-2,1'-cyclohexane]-1-one Traditional Name: 4'-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]spiro[cyclohexane-1,2'-indane]-1'-one Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1CC3(C2=O)CCCCC3)O

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CC3(C2=O)CCCCC3)O

InChI

InChI=1S/C21H31NO3/c1-20(2,3)22-13-15(23)14-25-18-9-7-8-16-17(18)12-21(19(16)24)10-5-4-6-11-21/h7-9,15,22-23H,4-6,10-14H2,1-3H3/t15-/m0/s1