1128755 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 8 8 8 8 7 7 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 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 10 10 11 11 13 13 14 14 15 16 16 17 17 17 19 20 20 21 21 22 22 23 23 24 24 25 25 25 26 26 27 28 9 25 19 28 12 18 7 12 31 11 18 35 8 29 30 9 10 13 14 32 12 16 15 33 15 34 37 19 36 18 20 21 22 23 38 24 39 26 40 27 41 27 42 44 45 46 28 43 47 48 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 11 6 12 16 19 36 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 2.866 8.9757 4.5981 4.5981 5.4641 6.3301 4.5981 4.5981 3.732 5.4641 6.3301 5.4641 3.732 5.4641 4.5981 7.1962 5.4641 5.4641 8.0622 6.3301 4.5981 8.1667 6.3301 4.5981 2 9.1448 5.4641 9.6448 4.386 3.9875 6.001 6.001 3.1951 6.001 6.8671 7.1962 4.5981 6.8671 4.0611 7.706 6.8671 4.0611 9.397 1.69 1.4631 2.31 5.4641 10.2615 -2.75 -0.1567 0.25 1.25 -1.25 1.25 -1.75 -2.75 -3.25 -3.25 0.25 -0.25 -4.25 -4.25 -4.75 -0.25 2.75 1.75 0.25 3.25 3.25 1.2445 4.25 4.25 -3.25 1.4524 4.75 0.5864 -1.1674 -1.8577 -1.56 -2.94 -4.56 -4.56 1.56 -0.87 -5.37 2.94 2.94 1.6594 4.56 4.56 2.0188 -2.7131 -3.56 -3.7869 5.37 0.5216 8 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 2 2 8 8 9 10 11 13 14 17 17 19 20 21 22 23 24 26 19 28 9 10 13 14 16 15 15 20 21 22 23 24 26 27 27 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 557 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B380000000000000000000000000000012000000030600000000000000001D000001E00100000000C0CE19806320682C004408802AD52D0008208002422000888818E0CC80C663284B53B963928E6C61188A9C798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-furyl)-1-[(2-methoxyphenyl)methylcarbamoyl]vinyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(2-furanyl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[1-(furan-2-yl)-3-[(2-methoxyphenyl)methylamino]-3-oxidanylidene-prop-1-en-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(2-furyl)-1-(o-anisylcarbamoyl)vinyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H20N2O4/c1-27-20-12-6-5-10-17(20)15-23-22(26)19(14-18-11-7-13-28-18)24-21(25)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,26)(H,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UXYBWEXQLIODIX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 80.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 376.14230712 28 0 0 0 1 0 1 0 1 -1