methyl 2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC)OC

InChI

InChI=1S/C22H25BrN2O6/c1-4-31-20-17(23)11-14(12-19(20)28-2)21(26)24-18-6-5-15(13-16(18)22(27)29-3)25-7-9-30-10-8-25/h5-6,11-13H,4,7-10H2,1-3H3,(H,24,26)