5-[(4-bromophenyl)carbonylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[(4-bromophenyl)carbonylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(4-bromobenzoyl)amino]-2-morpholino-benzoic acid CAS Name: 5-[[(4-bromophenyl)-oxomethyl]amino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(4-bromobenzoyl)amino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(4-bromobenzoyl)amino]-2-morpholino-benzoic acid Formula: C18H17BrN2O4 MolecularWeight: 405.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H17BrN2O4/c19-13-3-1-12(2-4-13)17(22)20-14-5-6-16(15(11-14)18(23)24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)(H,23,24)