70896145 -OEChem-03292405562D 39 40 0 0 0 0 0 0 0999 V2000 3.7282 0.0361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3282 0.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 1.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4564 0.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -1.4981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 1.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 -1.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7243 -0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5903 0.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 1.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0487 -0.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 -0.6367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9032 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 1.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 1.7156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 -0.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8569 -0.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 1.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -1.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 -2.1527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 1.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2613 -1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9933 0.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 22 2 0 0 0 0 6 15 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 M END > 70896145 > 1 > 417 > 6 > 1 > 6 > AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADEzhngY+zvIIFgCoAzT3TAKCiCA1IiAI2CF+bNgNJvrEtZ+GeajmwBHK+ce42fOeAEABAAACAAAAgAIAAAQAAAAAAAAAAA== > 6-(2-tert-butoxy-2-oxo-ethoxy)quinoline-3-carboxylic acid > 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-quinolinecarboxylic acid > 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]quinoline-3-carboxylic acid > 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]quinoline-3-carboxylic acid > 6-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]quinoline-3-carboxylic acid > 6-(2-tert-butoxy-2-keto-ethoxy)quinoline-3-carboxylic acid > InChI=1S/C16H17NO5/c1-16(2,3)22-14(18)9-21-12-4-5-13-10(7-12)6-11(8-17-13)15(19)20/h4-8H,9H2,1-3H3,(H,19,20) > WVJWNTRBYBFEQC-UHFFFAOYSA-N > 2.6 > 303.11067264 > C16H17NO5 > 303.31 > CC(C)(C)OC(=O)COC1=CC2=CC(=CN=C2C=C1)C(=O)O > CC(C)(C)OC(=O)COC1=CC2=CC(=CN=C2C=C1)C(=O)O > 85.7 > 303.11067264 > 0 > 22 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 8 12 16 8 12 19 8 14 16 8 14 17 8 15 18 8 17 18 8 19 20 8 20 21 8 6 15 8 6 21 8 $$$$