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

Systemtic Name: 2-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol Openeye Name: 2-[8-benzyloxy-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol CAS Name: 2-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol IUPAC Name: 2-[4-(dimethylaminomethyl)-8-phenylmethoxy-2,3-dihydro-1-benzoxepin-5-yl]phenol Traditional Name: 2-[8-benzoxy-4-(dimethylaminomethyl)-2,3-dihydro-1-benzoxepin-5-yl]phenol Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OCC1)C4=CC=CC=C4O

Isomeric SMILES

CN(C)CC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)OCC1)C4=CC=CC=C4O

InChI

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