67899338 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 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 2 2 3 3 3 4 4 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 18 18 19 19 20 20 21 21 22 22 17 23 46 17 18 41 5 11 12 13 6 7 8 24 25 9 14 10 26 27 10 28 29 30 31 32 33 34 35 36 37 16 38 15 39 16 17 40 19 20 21 42 22 43 23 44 23 45 2 1 1 1 1 1 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 2 1 2 1 1 1 1 2 1 1 1 2 1 2 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 6.4612 2.6131 5.107 7.6943 8.4761 9.3701 8.4761 10.2761 9.3701 10.2761 7.4718 8.3178 6.7194 7.6943 6.7194 6.2855 6.0959 4.4835 3.4947 4.8489 2.8712 4.2254 3.2366 9.7637 8.9655 10.887 10.4852 8.9655 9.7637 10.4852 10.887 8.0762 7.3338 6.8673 8.8025 8.7043 7.833 6.3328 7.8322 5.6655 4.8805 3.2682 5.462 2.2582 4.4519 2 -1.3323 -3.3798 -0.2524 2.4048 1.7813 2.316 0.7813 1.8022 0.2467 0.7605 3.3798 3.1867 2.1823 0.1578 0.3804 1.2813 -0.4015 -1.0343 -0.8852 -1.9651 -1.667 -2.747 -2.5979 2.795 2.7858 1.6961 2.3858 -0.2231 -0.2323 0.1768 0.8666 3.5177 3.9842 3.2418 2.8001 3.6714 3.5732 2.667 -0.4466 1.2813 0.3247 -0.3081 -2.0575 -1.5746 -3.3241 -3.2873 8 8 8 8 8 8 18 18 19 20 21 22 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 560 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A3000000000000000000000000000000000000000304000000400000000010000001E00100800000E0C81900032C682C00200880225525000820000212200088801066CC8082622C2919384700864D411C8D987B0C0C00D00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzo[7]annulene-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzo[7]annulene-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzo[7]annulene-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzo[7]annulene-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzo[7]annulene-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4-hydroxyphenyl)-9,9-dimethyl-1,2,3,4-tetrahydrobenzocycloheptene-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H23NO2/c1-20(2)12-11-15(13-14-5-3-4-6-18(14)20)19(23)21-16-7-9-17(22)10-8-16/h7-13,22H,3-6H2,1-2H3,(H,21,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WWLVOIUEKFDFOZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.172878976 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H23NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(C=CC(=CC2=C1CCCC2)C(=O)NC3=CC=C(C=C3)O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(C=CC(=CC2=C1CCCC2)C(=O)NC3=CC=C(C=C3)O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 309.172878976 23 0 0 0 0 0 0 0 1 -1