2-[3-[[4-(4-bromanyl-3-chloranyl-phenoxy)phenyl]methylcarbamoyl]phenyl]-4-methoxy-2-methyl-butanoic acid

Systemtic Name: 2-[3-[[4-(4-bromanyl-3-chloranyl-phenoxy)phenyl]methylcarbamoyl]phenyl]-4-methoxy-2-methyl-butanoic acid Openeye Name: 2-[3-[[4-(4-bromo-3-chloro-phenoxy)phenyl]methylcarbamoyl]phenyl]-4-methoxy-2-methyl-butanoic acid CAS Name: 2-[3-[[[4-(4-bromo-3-chlorophenoxy)phenyl]methylamino]-oxomethyl]phenyl]-4-methoxy-2-methylbutanoic acid IUPAC Name: 2-[3-[[4-(4-bromo-3-chlorophenoxy)phenyl]methylcarbamoyl]phenyl]-4-methoxy-2-methylbutanoic acid Traditional Name: 2-[3-[[4-(4-bromo-3-chloro-phenoxy)benzyl]carbamoyl]phenyl]-4-methoxy-2-methyl-butyric acid Formula: C26H25BrClNO5 MolecularWeight: 546.8374

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC)(C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)Br)Cl)C(=O)O

Isomeric SMILES

CC(CCOC)(C1=CC=CC(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)Br)Cl)C(=O)O

InChI

InChI=1S/C26H25BrClNO5/c1-26(25(31)32,12-13-33-2)19-5-3-4-18(14-19)24(30)29-16-17-6-8-20(9-7-17)34-21-10-11-22(27)23(28)15-21/h3-11,14-15H,12-13,16H2,1-2H3,(H,29,30)(H,31,32)