(2S)-1-(azepan-1-yl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCCC3=CC=CC=C3)O

Isomeric SMILES

C1CCCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCCC3=CC=CC=C3)O

InChI

InChI=1S/C25H36N2O2/c28-24(20-27-16-6-1-2-7-17-27)21-29-25-14-8-12-23(18-25)19-26-15-9-13-22-10-4-3-5-11-22/h3-5,8,10-12,14,18,24,26,28H,1-2,6-7,9,13,15-17,19-21H2/t24-/m0/s1