2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol

Systemtic Name: 2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol Openeye Name: 2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidyl]methyl]phenoxy]ethanol CAS Name: 2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidinyl]methyl]phenoxy]ethanol IUPAC Name: 2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol Traditional Name: 2-[3-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidino]methyl]phenoxy]ethanol Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)OCCO)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC(=CC=C2)OCCO)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O4/c24-9-10-25-19-5-1-3-16(11-19)13-23-8-2-4-18(14-23)22-17-6-7-20-21(12-17)27-15-26-20/h1,3,5-7,11-12,18,22,24H,2,4,8-10,13-15H2/t18-/m0/s1