(5S)-7-methoxy-5-(3-methylbutyl)-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one

Systemtic Name: (5S)-7-methoxy-5-(3-methylbutyl)-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one Openeye Name: (5S)-5-isopentyl-7-methoxy-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one CAS Name: (5S)-7-methoxy-5-(3-methylbutyl)-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one IUPAC Name: (5S)-7-methoxy-5-(3-methylbutyl)-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one Traditional Name: (5S)-5-isoamyl-7-methoxy-1-(trifluoromethyl)-5H-4,1-benzoxazepin-2-one Formula: C16H20F3NO3 MolecularWeight: 331.33011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1C2=C(C=CC(=C2)OC)N(C(=O)CO1)C(F)(F)F

Isomeric SMILES

CC(C)CC[C@H]1C2=C(C=CC(=C2)OC)N(C(=O)CO1)C(F)(F)F

InChI

InChI=1S/C16H20F3NO3/c1-10(2)4-7-14-12-8-11(22-3)5-6-13(12)20(16(17,18)19)15(21)9-23-14/h5-6,8,10,14H,4,7,9H2,1-3H3/t14-/m0/s1