(2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methyl-pent-4-en-1-one

Systemtic Name: (2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methyl-pent-4-en-1-one Openeye Name: (2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methyl-pent-4-en-1-one CAS Name: (2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methyl-4-penten-1-one IUPAC Name: (2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methylpent-4-en-1-one Traditional Name: (2S)-1-[(2R)-2-tert-butyl-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methyl-pent-4-en-1-one Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)C(=O)N1C(OCC2=CC=CC=C21)C(C)(C)C

Isomeric SMILES

C[C@@H](CC=C)C(=O)N1[C@H](OCC2=CC=CC=C21)C(C)(C)C

InChI

InChI=1S/C18H25NO2/c1-6-9-13(2)16(20)19-15-11-8-7-10-14(15)12-21-17(19)18(3,4)5/h6-8,10-11,13,17H,1,9,12H2,2-5H3/t13-,17+/m0/s1