4-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol

Systemtic Name: 4-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol Openeye Name: 4-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol CAS Name: 4-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol IUPAC Name: 4-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol Traditional Name: 4-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=CC=C(C=C3)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=CC=C(C=C3)O)Br)OC1

InChI

InChI=1S/C16H16BrNO3/c17-14-8-11(9-15-16(14)21-7-1-6-20-15)10-18-12-2-4-13(19)5-3-12/h2-5,8-9,18-19H,1,6-7,10H2