3-[[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methylamino]benzoic acid

Systemtic Name: 3-[[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-methoxy-phenyl]methylamino]benzoic acid Openeye Name: 3-[[3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-methoxy-phenyl]methylamino]benzoic acid CAS Name: 3-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoic acid IUPAC Name: 3-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoic acid Traditional Name: 3-[[3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-methoxy-benzyl]amino]benzoic acid Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1Br)CNC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C21H25BrN2O5/c1-21(2,3)24-18(25)12-29-19-16(22)8-13(9-17(19)28-4)11-23-15-7-5-6-14(10-15)20(26)27/h5-10,23H,11-12H2,1-4H3,(H,24,25)(H,26,27)