2-[(2R,3S)-3-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]azepan-2-yl]phenol

Systemtic Name: 2-[(2R,3S)-3-[[(1R)-2-oxidanyl-1-phenyl-ethyl]amino]azepan-2-yl]phenol Openeye Name: 2-[(2R,3S)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]azepan-2-yl]phenol CAS Name: 2-[(2R,3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-azepanyl]phenol IUPAC Name: 2-[(2R,3S)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]azepan-2-yl]phenol Traditional Name: 2-[(2R,3S)-3-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]azepan-2-yl]phenol Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C(C1)NC(CO)C2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

C1CCN[C@@H]([C@H](C1)N[C@@H](CO)C2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H26N2O2/c23-14-18(15-8-2-1-3-9-15)22-17-11-6-7-13-21-20(17)16-10-4-5-12-19(16)24/h1-5,8-10,12,17-18,20-24H,6-7,11,13-14H2/t17-,18-,20+/m0/s1