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

Systemtic Name: 1-methyl-7-[2-[methyl(piperidin-4-yl)amino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 1-methyl-7-[2-[methyl(4-piperidyl)amino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[methyl(4-piperidinyl)amino]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-[2-[methyl(piperidin-4-yl)amino]pyrimidin-4-yl]oxyindole-2-carboxylic acid Traditional Name: 1-methyl-7-[2-[methyl(4-piperidyl)amino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)N(C)C4CCNCC4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)N(C)C4CCNCC4)C(=O)O

InChI

InChI=1S/C20H23N5O3/c1-24(14-6-9-21-10-7-14)20-22-11-8-17(23-20)28-16-5-3-4-13-12-15(19(26)27)25(2)18(13)16/h3-5,8,11-12,14,21H,6-7,9-10H2,1-2H3,(H,26,27)