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

Systemtic Name: 7-[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-(4-acetyl-1-piperazinyl)-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-(4-acetylpiperazino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-13(26)24-8-10-25(11-9-24)20-21-7-6-17(22-20)29-16-5-3-4-14-12-15(19(27)28)23(2)18(14)16/h3-7,12H,8-11H2,1-2H3,(H,27,28)