2-[4-(2,2-dimethylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol

Systemtic Name: 2-[4-(2,2-dimethylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Openeye Name: 2-[4-(2,2-dimethylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol CAS Name: 2-[4-(2,2-dimethylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-2-propanol IUPAC Name: 2-[4-(2,2-dimethylpropyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxypropan-2-ol Traditional Name: 2-(4-neopentyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1-phenoxy-propan-2-ol Formula: C23H31NO3 MolecularWeight: 369.49714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCOC2=C(C1)C=C(C=C2)C(C)(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)CN1CCOC2=C(C1)C=C(C=C2)C(C)(COC3=CC=CC=C3)O

InChI

InChI=1S/C23H31NO3/c1-22(2,3)16-24-12-13-26-21-11-10-19(14-18(21)15-24)23(4,25)17-27-20-8-6-5-7-9-20/h5-11,14,25H,12-13,15-17H2,1-4H3