3-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride

Systemtic Name: 3-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Openeye Name: 3-[8-benzyloxy-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride CAS Name: 3-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride IUPAC Name: 3-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Traditional Name: 3-[8-benzoxy-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol hydrochloride Formula: C26H28ClNO3 MolecularWeight: 437.95842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OCC1)C4=CC(=CC=C4)O.Cl

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OCC1)C4=CC(=CC=C4)O.Cl

InChI

InChI=1S/C26H27NO3.ClH/c1-27(2)17-21-13-14-29-25-16-23(30-18-19-7-4-3-5-8-19)11-12-24(25)26(21)20-9-6-10-22(28)15-20;/h3-12,15-16,28H,13-14,17-18H2,1-2H3;1H