2-[3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile; 2-oxidanylbutanedioic acid

Systemtic Name: 2-[3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile CAS Name: 2-hydroxybutanedioic acid; 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 2-hydroxybutanedioic acid; 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile Traditional Name: 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile; malic acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C22H25N3O2.C4H6O5/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23;5-2(4(8)9)1-3(6)7/h3-10,13,18,24-26H,11,14-15H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9)