4-[(2R)-3-[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-[[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]amino]propoxy]benzonitrile Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNCC(COC2=CC=C(C=C2)C#N)O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CNC[C@H](COC2=CC=C(C=C2)C#N)O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H25N3O2/c27-14-19-10-12-22(13-11-19)31-18-21(30)15-28-16-24(20-6-2-1-3-7-20)25-17-29-26-9-5-4-8-23(25)26/h1-13,17,21,24,28-30H,15-16,18H2/t21-,24+/m1/s1