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2-(([4-(1-AZEPANYLCARBONYL)PHENYL]AMINO)CARBONYL)BENZOIC ACID

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Name: 2-(([4-(1-AZEPANYLCARBONYL)PHENYL]AMINO)CARBONYL)BENZOIC ACID
CAS: 940521-48-2
Synonyms: 2-([4-(1-AZEPANYLCARBONYL)ANILINO]-CARBONYL)BENZOIC ACID ; 2-(([4-(1-AZEPANYLCARBONYL)PHENYL]AMINO)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
MDL.: MFCD09439309
H bond acceptor: 6
H bond donor: 2
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

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Comments: WARNINGS: IRRITANT

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