10091294 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 9 8 8 8 8 6 6 6 6 6 6 6 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 2 2 3 3 4 4 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 12 13 14 15 16 16 16 17 17 18 18 18 19 19 19 20 21 21 22 22 23 24 24 25 25 26 26 26 27 27 28 14 6 18 13 16 9 26 9 7 8 9 11 29 30 10 12 13 31 32 33 34 14 35 15 15 36 17 37 38 20 22 39 40 41 20 21 24 42 23 25 23 43 44 27 45 28 46 47 48 49 28 50 51 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 6 2 8 7 9 2 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 2 2.732 5.4641 2.866 4.5981 3.732 4.732 3.732 3.732 4.5981 5.232 2.866 4.5981 2.866 3.732 6.3301 7.1962 2.232 8.9282 8.0622 8.9282 7.1962 8.0622 9.8222 9.8222 2.866 10.7282 10.7282 5.3147 4.6244 5.135 4.6951 5.542 5.769 2.3291 3.732 5.9316 6.7287 1.6951 1.922 2.769 8.0622 6.6592 8.0622 9.815 9.815 2.246 2.866 3.486 11.2639 11.2639 1.9827 -1.0173 1.9827 -2.5173 -2.5173 -1.0173 -1.0173 -0.0173 -2.0173 0.4827 -1.8834 0.4827 1.4827 1.4827 1.9827 1.4827 1.9827 -1.8834 1.9827 1.4827 2.9827 2.9827 3.4827 1.448 3.5173 -3.5173 1.9618 3.0035 -0.8053 -0.4068 0.1727 -2.1934 -2.4203 -1.5734 0.1727 2.6027 1.0077 1.0077 -1.5734 -2.4203 -2.1934 0.8627 3.2927 4.1027 0.828 4.1373 -3.5173 -4.1373 -3.5173 1.6498 3.3156 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 8 8 10 12 13 14 17 17 19 19 19 21 21 22 24 25 27 2 10 12 13 14 15 15 20 22 20 21 24 23 25 23 27 28 28 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 513 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07839000000000000000000000000000000000000003060C0000000000000C15400001B00000000000C44A0980A320EC0000400880220D208020208002020000888014608880D263284351E823820A4C0110AA807C8ECFCCEC0000300001000008000060000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (2R)-2-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-2-methoxy-butanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[3-fluoro-5-(2-naphthalenylmethoxy)phenyl]-2-methoxybutanoic acid methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (2<I>R</I>)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (2R)-2-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxybutanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (2R)-2-[3-fluoranyl-5-(naphthalen-2-ylmethoxy)phenyl]-2-methoxy-butanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-[3-fluoro-5-(2-naphthylmethoxy)phenyl]-2-methoxy-butyric acid methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H23FO4/c1-4-23(27-3,22(25)26-2)19-12-20(24)14-21(13-19)28-15-16-9-10-17-7-5-6-8-18(17)11-16/h5-14H,4,15H2,1-3H3/t23-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YOFHXPYZDXQNER-HSZRJFAPSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.15803737 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H23FO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C1=CC(=CC(=C1)F)OCC2=CC3=CC=CC=C3C=C2)(C(=O)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC[C@@](C1=CC(=CC(=C1)F)OCC2=CC3=CC=CC=C3C=C2)(C(=O)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 382.15803737 28 1 1 0 0 0 0 0 1 -1