methyl 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-morpholino-benzoate CAS Name: 3-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C22H25BrN2O5 MolecularWeight: 477.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)C

InChI

InChI=1S/C22H25BrN2O5/c1-14-10-15(2)21(17(23)11-14)30-13-20(26)24-18-12-16(22(27)28-3)4-5-19(18)25-6-8-29-9-7-25/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,26)