2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol

Systemtic Name: 2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol Openeye Name: 2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol CAS Name: 2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol IUPAC Name: 2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol Traditional Name: 2-[4-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]phenoxy]ethanol Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NCC3=CC=C(C=C3)OCCO

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NCC3=CC=C(C=C3)OCCO

InChI

InChI=1S/C20H25NO4/c1-15(17-5-8-19-20(13-17)25-11-2-10-24-19)21-14-16-3-6-18(7-4-16)23-12-9-22/h3-8,13,15,21-22H,2,9-12,14H2,1H3