4-[5-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol

Systemtic Name: 4-[5-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol Openeye Name: 4-[5-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol CAS Name: 4-[5-[4-[2-(1-azetidinyl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol IUPAC Name: 4-[5-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol Traditional Name: 4-[5-[4-[2-(azetidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-4-yl]phenol Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CCOC2=CC=C(C=C2)C3=C(CCOC4=CC=CC=C43)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(C1)CCOC2=CC=C(C=C2)C3=C(CCOC4=CC=CC=C43)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H27NO3/c29-22-10-6-20(7-11-22)24-14-18-31-26-5-2-1-4-25(26)27(24)21-8-12-23(13-9-21)30-19-17-28-15-3-16-28/h1-2,4-13,29H,3,14-19H2