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| Product_Name: | 2-(([4-(1-AZEPANYLCARBONYL)PHENYL]AMINO)CARBONYL)BENZOIC ACID |
| CAS: | 940521-48-2 |
| EnglishSynonyms: | 2-([4-(1-AZEPANYLCARBONYL)ANILINO]-CARBONYL)BENZOIC ACID ; BENZOIC ACID, 2-[[[4-[(HEXAHYDRO-1H-AZEPIN-1-YL)CARBONYL]PHENYL]AMINO]CARBONYL]- ; 2-((4-[(AZEPAN-1-YL)CARBONYL]PHENYL)CARBAMOYL)BENZOIC ACID ; 2-(([4-(1-AZEPANYLCARBONYL)PHENYL]AMINO)CARBONYL)BENZOIC ACID |
| pro_mdlNumber: | MFCD09439309 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | c1ccc(c(c1)C(=O)Nc2ccc(cc2)C(=O)N3CCCCCC3)C(=O)O |
| InChi: | InChI=1S/C21H22N2O4/c24-19(17-7-3-4-8-18(17)21(26)27)22-16-11-9-15(10-12-16)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)(H,26,27) |
| InChiKey: | InChIKey=VDVYIGJNLDMODJ-UHFFFAOYSA-N |
property |
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| Comments: | WARNINGS: IRRITANT |
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