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

Systemtic Name: 7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[2-(4-tert-butyl-1-piperazinyl)ethyl]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[2-(4-tert-butylpiperazino)ethyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)CCC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CC(C)(C)N1CCN(CC1)CCC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C24H31N5O3/c1-24(2,3)29-14-12-28(13-15-29)11-9-20-25-10-8-21(26-20)32-19-7-5-6-17-16-18(23(30)31)27(4)22(17)19/h5-8,10,16H,9,11-15H2,1-4H3,(H,30,31)