7-[2-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-(4-tert-butyl-1-piperazinyl)-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-(4-tert-butylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-(4-tert-butylpiperazino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)27-12-10-26(11-13-27)21-23-9-8-18(24-21)30-17-7-5-6-15-14-16(20(28)29)25(4)19(15)17/h5-9,14H,10-13H2,1-4H3,(H,28,29)