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

Systemtic Name: 7-[2-[(4-tert-butylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[(4-tert-butylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[(4-tert-butyl-1-piperazinyl)methyl]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[(4-tert-butylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[(4-tert-butylpiperazino)methyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)CC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CC(C)(C)N1CCN(CC1)CC2=NC=CC(=N2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C23H29N5O3/c1-23(2,3)28-12-10-27(11-13-28)15-19-24-9-8-20(25-19)31-18-7-5-6-16-14-17(22(29)30)26(4)21(16)18/h5-9,14H,10-13,15H2,1-4H3,(H,29,30)