5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(4-benzoxy-3-bromo-5-methoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C26H27BrN2O5 MolecularWeight: 527.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O5/c1-32-24-14-19(13-22(27)25(24)34-17-18-5-3-2-4-6-18)16-28-20-7-8-23(21(15-20)26(30)31)29-9-11-33-12-10-29/h2-8,13-15,28H,9-12,16-17H2,1H3,(H,30,31)