3-[[(2S)-1-[1-(phenylmethyl)indol-3-yl]-3-prop-2-enoxy-propan-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[(2S)-1-[1-(phenylmethyl)indol-3-yl]-3-prop-2-enoxy-propan-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[(1S)-1-(allyloxymethyl)-2-(1-benzylindol-3-yl)ethyl]amino]benzonitrile CAS Name: 3-[[(2S)-1-[1-(phenylmethyl)-3-indolyl]-3-prop-2-enoxypropan-2-yl]amino]benzonitrile IUPAC Name: 3-[[(2S)-1-(1-benzylindol-3-yl)-3-prop-2-enoxypropan-2-yl]amino]benzonitrile Traditional Name: 3-[[(1S)-1-(allyloxymethyl)-2-(1-benzylindol-3-yl)ethyl]amino]benzonitrile Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C=CCOC[C@H](CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H27N3O/c1-2-15-32-21-26(30-25-12-8-11-23(16-25)18-29)17-24-20-31(19-22-9-4-3-5-10-22)28-14-7-6-13-27(24)28/h2-14,16,20,26,30H,1,15,17,19,21H2/t26-/m0/s1