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

Systemtic Name: methyl 3-[(3-bromanyl-4-ethoxy-phenyl)carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-bromo-4-ethoxy-benzoyl)amino]-4-morpholino-benzoate CAS Name: 3-[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4-ethoxybenzoyl)amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-bromo-4-ethoxy-benzoyl)amino]-4-morpholino-benzoic acid methyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

InChI

InChI=1S/C21H23BrN2O5/c1-3-29-19-7-5-14(12-16(19)22)20(25)23-17-13-15(21(26)27-2)4-6-18(17)24-8-10-28-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)