4-[3-[[3-[2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]ethyl]phenyl]methoxy]propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[3-[2-[[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]ethyl]phenyl]methoxy]propyl]benzenecarbonitrile Openeye Name: 4-[3-[[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]ethyl]phenyl]methoxy]propyl]benzonitrile CAS Name: 4-[3-[[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]ethyl]phenyl]methoxy]propyl]benzonitrile IUPAC Name: 4-[3-[[3-[2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]ethyl]phenyl]methoxy]propyl]benzonitrile Traditional Name: 4-[3-[3-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]ethyl]benzyl]oxypropyl]benzonitrile Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COCCCC2=CC=C(C=C2)C#N)CCNCC(C3=CC(=C(C=C3)O)CO)O

Isomeric SMILES

C1=CC(=CC(=C1)COCCCC2=CC=C(C=C2)C#N)CCNC[C@@H](C3=CC(=C(C=C3)O)CO)O

InChI

InChI=1S/C28H32N2O4/c29-17-23-8-6-21(7-9-23)5-2-14-34-20-24-4-1-3-22(15-24)12-13-30-18-28(33)25-10-11-27(32)26(16-25)19-31/h1,3-4,6-11,15-16,28,30-33H,2,5,12-14,18-20H2/t28-/m0/s1