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

Systemtic Name: 7-[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[4-(dimethylamino)-1-piperidyl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[4-(dimethylamino)-1-piperidinyl]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[4-(dimethylamino)piperidin-1-yl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[4-(dimethylamino)piperidino]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)N4CCC(CC4)N(C)C)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)N4CCC(CC4)N(C)C)C(=O)O

InChI

InChI=1S/C21H25N5O3/c1-24(2)15-8-11-26(12-9-15)21-22-10-7-18(23-21)29-17-6-4-5-14-13-16(20(27)28)25(3)19(14)17/h4-7,10,13,15H,8-9,11-12H2,1-3H3,(H,27,28)