1-methyl-7-[2-(4-methylpiperazin-1-yl)carbonylpyridin-4-yl]oxy-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[2-(4-methylpiperazin-1-yl)carbonylpyridin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridyl]oxy]indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]-4-pyridinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-(4-methylpiperazine-1-carbonyl)pyridin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridyl]oxy]indole-2-carboxylic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NC=CC(=C2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NC=CC(=C2)OC3=CC=CC4=C3N(C(=C4)C(=O)O)C

InChI

InChI=1S/C21H22N4O4/c1-23-8-10-25(11-9-23)20(26)16-13-15(6-7-22-16)29-18-5-3-4-14-12-17(21(27)28)24(2)19(14)18/h3-7,12-13H,8-11H2,1-2H3,(H,27,28)