4-(6-ethyl-2-pyrimidin-2-yl-pyridin-3-yl)oxy-6-phenylmethoxy-quinoline-7-carboxylic acid

Systemtic Name: 4-(6-ethyl-2-pyrimidin-2-yl-pyridin-3-yl)oxy-6-phenylmethoxy-quinoline-7-carboxylic acid Openeye Name: 6-benzyloxy-4-[(6-ethyl-2-pyrimidin-2-yl-3-pyridyl)oxy]quinoline-7-carboxylic acid CAS Name: 4-[[6-ethyl-2-(2-pyrimidinyl)-3-pyridinyl]oxy]-6-phenylmethoxy-7-quinolinecarboxylic acid IUPAC Name: 4-(6-ethyl-2-pyrimidin-2-ylpyridin-3-yl)oxy-6-phenylmethoxyquinoline-7-carboxylic acid Traditional Name: 6-benzoxy-4-[[6-ethyl-2-(2-pyrimidyl)-3-pyridyl]oxy]quinoline-7-carboxylic acid Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)C(=O)O)OCC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

CCC1=NC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)C(=O)O)OCC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C28H22N4O4/c1-2-19-9-10-24(26(32-19)27-30-12-6-13-31-27)36-23-11-14-29-22-15-21(28(33)34)25(16-20(22)23)35-17-18-7-4-3-5-8-18/h3-16H,2,17H2,1H3,(H,33,34)