7-[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 7-[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Openeye Name: 7-[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 7-[[2-[3-(dimethylamino)-1-pyrrolidinyl]-4-pyrimidinyl]oxy]-1-methyl-2-indolecarboxylic acid IUPAC Name: 7-[2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-[3-(dimethylamino)pyrrolidino]pyrimidin-4-yl]oxy-1-methyl-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)N4CCC(C4)N(C)C)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)N4CCC(C4)N(C)C)C(=O)O

InChI

InChI=1S/C20H23N5O3/c1-23(2)14-8-10-25(12-14)20-21-9-7-17(22-20)28-16-6-4-5-13-11-15(19(26)27)24(3)18(13)16/h4-7,9,11,14H,8,10,12H2,1-3H3,(H,26,27)