5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methylamino]-2-morpholino-benzoic acid CAS Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]amino]-2-morpholino-benzoic acid Formula: C21H24BrN3O6 MolecularWeight: 494.33576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC(=O)N

InChI

InChI=1S/C21H24BrN3O6/c1-29-18-9-13(8-16(22)20(18)31-12-19(23)26)11-24-14-2-3-17(15(10-14)21(27)28)25-4-6-30-7-5-25/h2-3,8-10,24H,4-7,11-12H2,1H3,(H2,23,26)(H,27,28)