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

pro_cas
940521-48-2
pro_cdbregno
CCD00744506
pro_formula
C21 H22 N2 O4
pro_molWeight
366.415

basic_info

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

Comments: WARNINGS: IRRITANT

secure_info

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