16682308 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 55 8 43 20 21 20 11 15 16 7 8 22 23 9 24 25 11 26 10 27 28 12 29 30 31 32 13 33 34 14 35 36 17 37 38 18 39 40 19 41 42 20 44 45 46 47 48 49 50 51 52 53 54 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 2 6 11 26 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 6.5321 4.001 12.6613 11.7953 2.269 4.8671 5.7331 4.001 6.5991 7.4651 3.135 8.3312 9.1972 10.0632 1.403 2.269 10.9292 0.5369 1.403 11.7953 13.5273 5.2656 4.4685 5.3346 6.1316 4.538 6.9976 6.2006 7.0666 7.8637 3.5335 2.7365 8.7297 7.9326 8.7987 9.5957 10.4617 9.6647 1.8015 1.0044 2.481 2.8796 4.538 10.5307 11.3278 0.2269 0 0.8469 1.093 0.866 1.713 13.8373 14.0643 13.2173 7.5321 0 3.5369 4.5369 6.0369 4.5369 5.0369 4.5369 4.5369 5.0369 4.5369 5.0369 5.0369 4.5369 5.0369 5.0369 3.5369 4.5369 4.5369 3.0369 5.0369 5.0369 5.5119 5.5119 4.062 4.062 4.2269 5.5119 5.5119 4.062 4.062 5.5119 5.5119 5.5119 5.5119 4.062 4.062 5.5119 5.5119 5.5119 5.5119 2.9543 3.6446 3.2269 4.062 4.062 5.0739 4.2269 4 3.5739 2.7269 2.5 4.5 5.3469 5.5739 0 3 8 2 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 230 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 14 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A3000040000000000000000000000000000000000000000000000000000000000001E00000800000814E1800602080300060008000090080000000000000000000108000002101200800004400004000090000198C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 11-(diethylamino)-10-hydroxy-undecanoate;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 11-(diethylamino)-10-hydroxyundecanoic acid methyl ester;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 11-(diethylamino)-10-hydroxyundecanoate;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 11-(diethylamino)-10-oxidanyl-undecanoate;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 11-(diethylamino)-10-hydroxy-undecanoic acid methyl ester;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H33NO3.ClH/c1-4-17(5-2)14-15(18)12-10-8-6-7-9-11-13-16(19)20-3;/h15,18H,4-14H2,1-3H3;1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GZBABNORCRRLET-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.2227216 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H34ClNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CC(CCCCCCCCC(=O)OC)O.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CC(CCCCCCCCC(=O)OC)O.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 49.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.2227216 21 1 0 1 0 0 0 0 2 -1