2-[3-[[1-(1H-indol-2-yl)-2-methyl-propan-2-yl]-prop-2-enyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[[1-(1H-indol-2-yl)-2-methyl-propan-2-yl]-prop-2-enyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[allyl-[2-(1H-indol-2-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[2-hydroxy-3-[[1-(1H-indol-2-yl)-2-methylpropan-2-yl]-prop-2-enylamino]propoxy]benzonitrile IUPAC Name: 2-[2-hydroxy-3-[[1-(1H-indol-2-yl)-2-methylpropan-2-yl]-prop-2-enylamino]propoxy]benzonitrile Traditional Name: 2-[3-[allyl-[2-(1H-indol-2-yl)-1,1-dimethyl-ethyl]amino]-2-hydroxy-propoxy]benzonitrile Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2N1)N(CC=C)CC(COC3=CC=CC=C3C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2N1)N(CC=C)CC(COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C25H29N3O2/c1-4-13-28(17-22(29)18-30-24-12-8-6-10-20(24)16-26)25(2,3)15-21-14-19-9-5-7-11-23(19)27-21/h4-12,14,22,27,29H,1,13,15,17-18H2,2-3H3