9330 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 8 8 8 7 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 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 11 13 13 14 14 15 15 16 16 17 17 17 18 18 18 19 19 20 20 21 21 22 22 23 24 7 12 5 43 12 6 10 11 8 9 12 7 25 26 27 28 13 15 14 16 17 29 30 18 31 32 19 33 20 34 21 35 22 36 37 38 39 40 41 42 23 44 24 45 23 46 24 47 48 49 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 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 4.81 2.31 4.81 7.31 3.31 6.31 5.81 3.31 3.31 7.81 7.81 4.31 4.176 4.176 2.444 2.444 8.81 8.81 4.176 4.176 2.444 2.444 3.31 3.31 5.7274 6.4177 6.3926 5.7023 7.2274 7.9177 7.9177 7.2274 4.713 4.713 1.907 1.907 8.81 9.43 8.81 8.81 9.43 8.81 2 4.713 4.713 1.907 1.907 3.31 3.31 -0.866 0 0.866 -1.732 0 -1.732 -0.866 -1 1 -2.5981 -0.866 0 -1.5 1.5 -1.5 1.5 -2.5981 -0.866 -2.5 2.5 -2.5 2.5 -3 3 -1.9441 -2.3426 -0.654 -0.2554 -2.8101 -3.2087 -0.2554 -0.654 -1.19 1.19 -1.19 1.19 -3.2181 -2.5981 -1.9781 -1.486 -0.866 -0.246 0.5369 -2.81 2.81 -2.81 2.81 -3.62 3.62 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 13 14 15 16 19 20 21 22 13 15 14 16 19 20 21 22 23 24 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 351 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A3000000000000000000000000000000000000000306000000000000000014000001E00000800000C44E19806320883000600880220D208020200002000000888014808880B263280151083700024C0019B980788C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenyl-acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-2,2-diphenylacetic acid 2-(diethylamino)ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxy-2,2-diphenyl-acetic acid 2-(diethylamino)ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IVQOFBKHQCTVQV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.18344366 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H25NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.18344366 24 0 0 0 0 0 0 0 1 -1