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

Systemtic Name: ethanedioic acid; 2-[3-[[2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[[1,1-dimethyl-2-(2-methyl-1H-indol-3-yl)ethyl]amino]-2-hydroxy-propoxy]benzonitrile; oxalic acid CAS Name: 2-[2-hydroxy-3-[[2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-yl]amino]propoxy]benzonitrile; oxalic acid IUPAC Name: 2-[2-hydroxy-3-[[2-methyl-1-(2-methyl-1H-indol-3-yl)propan-2-yl]amino]propoxy]benzonitrile; oxalic acid Traditional Name: 2-[3-[[1,1-dimethyl-2-(2-methyl-1H-indol-3-yl)ethyl]amino]-2-hydroxy-propoxy]benzonitrile; oxalic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)CC(C)(C)NCC(COC3=CC=CC=C3C#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)CC(C)(C)NCC(COC3=CC=CC=C3C#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27N3O2.C2H2O4/c1-16-20(19-9-5-6-10-21(19)26-16)12-23(2,3)25-14-18(27)15-28-22-11-7-4-8-17(22)13-24;3-1(4)2(5)6/h4-11,18,25-27H,12,14-15H2,1-3H3;(H,3,4)(H,5,6)