4-(4-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepin-8-ol

Systemtic Name: 4-(4-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepin-8-ol Openeye Name: 4-(4-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepin-8-ol CAS Name: 4-(4-hydroxyphenyl)-5-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2,3-dihydro-1-benzoxepin-8-ol IUPAC Name: 4-(4-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepin-8-ol Traditional Name: 4-(4-hydroxyphenyl)-5-[4-(2-pyrrolidinoethoxy)phenyl]-2,3-dihydro-1-benzoxepin-8-ol Formula: C28H29NO4 MolecularWeight: 443.53416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(CCOC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(CCOC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C28H29NO4/c30-22-7-3-20(4-8-22)25-13-17-33-27-19-23(31)9-12-26(27)28(25)21-5-10-24(11-6-21)32-18-16-29-14-1-2-15-29/h3-12,19,30-31H,1-2,13-18H2