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

Systemtic Name: (2S)-2-[4-[(4-dimethylaminophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Openeye Name: (2S)-2-[4-[(4-dimethylaminophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol CAS Name: (2S)-2-[4-[(4-dimethylaminophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-2-propanol IUPAC Name: (2S)-2-[4-[(4-dimethylaminophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxypropan-2-ol Traditional Name: (2S)-2-[4-[4-(dimethylamino)benzyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-1-phenoxy-propan-2-ol Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)(C2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)N(C)C)O

Isomeric SMILES

C[C@@](COC1=CC=CC=C1)(C2=CC3=C(C=C2)OCCN(C3)CC4=CC=C(C=C4)N(C)C)O

InChI

InChI=1S/C27H32N2O3/c1-27(30,20-32-25-7-5-4-6-8-25)23-11-14-26-22(17-23)19-29(15-16-31-26)18-21-9-12-24(13-10-21)28(2)3/h4-14,17,30H,15-16,18-20H2,1-3H3/t27-/m1/s1