12508533 -OEChem-03282409282D 32 32 0 1 0 0 0 0 0999 V2000 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 32 1 0 0 0 0 2 15 2 0 0 0 0 3 6 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 M END > 12508533 > 1 > 216 > 3 > 1 > 4 > AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAACAAADQjBngQ+iJIIEgCoAzT3TACCgCAxAiAI2CE4ZJgIIPLAlZGEYAhkwAHIyAe8yOCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-(6-isobutyl-3-pyridyl)propanoic acid > 2-[6-(2-methylpropyl)-3-pyridinyl]propanoic acid > 2-[6-(2-methylpropyl)pyridin-3-yl]propanoic acid > 2-[6-(2-methylpropyl)pyridin-3-yl]propanoic acid > 2-[6-(2-methylpropyl)pyridin-3-yl]propanoic acid > 2-(6-isobutyl-3-pyridyl)propionic acid > InChI=1S/C12H17NO2/c1-8(2)6-11-5-4-10(7-13-11)9(3)12(14)15/h4-5,7-9H,6H2,1-3H3,(H,14,15) > ZGNITBRDNNUWLO-UHFFFAOYSA-N > 2.5 > 207.125928785 > C12H17NO2 > 207.27 > CC(C)CC1=NC=C(C=C1)C(C)C(=O)O > CC(C)CC1=NC=C(C=C1)C(C)C(=O)O > 50.2 > 207.125928785 > 0 > 15 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 3 13 8 3 6 8 6 11 8 7 14 3 8 12 8 8 13 8 $$$$