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

Systemtic Name: methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-bromo-4-methoxy-benzoyl)amino]-4-morpholino-benzoate CAS Name: 3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)amino]-4-morpholino-benzoic acid methyl ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

InChI

InChI=1S/C20H21BrN2O5/c1-26-18-6-4-13(11-15(18)21)19(24)22-16-12-14(20(25)27-2)3-5-17(16)23-7-9-28-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)