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

Systemtic Name: 2-[3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile; 2-hydroxy-2-phenyl-acetic acid CAS Name: 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile; 2-hydroxy-2-phenylacetic acid IUPAC Name: 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile; 2-hydroxy-2-phenylacetic acid Traditional Name: 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile; madelic acid Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC(C)(CC1=CNC2=CC=CC=C21)NCC(COC3=CC=CC=C3C#N)O.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C22H25N3O2.C8H8O3/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;9-7(8(10)11)6-4-2-1-3-5-6/h3-10,13,18,24-26H,11,14-15H2,1-2H3;1-5,7,9H,(H,10,11)