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

Systemtic Name: 3-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol Openeye Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol CAS Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol IUPAC Name: 3-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]phenol Traditional Name: 3-[(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(=CC=C3)O)Br)OC1

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3/c17-14-7-11(8-15-16(14)21-6-2-5-20-15)10-18-12-3-1-4-13(19)9-12/h1,3-4,7-9,18-19H,2,5-6,10H2