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

Systemtic Name: 4-[[3-bromanyl-4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-5-ethoxy-phenyl]methylamino]benzoic acid Openeye Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxo-ethoxy]-5-ethoxy-phenyl]methylamino]benzoic acid CAS Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylamino]benzoic acid IUPAC Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylamino]benzoic acid Traditional Name: 4-[[3-bromo-4-[2-(tert-butylamino)-2-keto-ethoxy]-5-ethoxy-benzyl]amino]benzoic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Br)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)C(=O)O)Br)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C22H27BrN2O5/c1-5-29-18-11-14(12-24-16-8-6-15(7-9-16)21(27)28)10-17(23)20(18)30-13-19(26)25-22(2,3)4/h6-11,24H,5,12-13H2,1-4H3,(H,25,26)(H,27,28)