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

Systemtic Name: 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]-2-morpholino-benzoic acid Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NCC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H25BrN2O4/c26-20-6-9-24(32-17-18-4-2-1-3-5-18)19(14-20)16-27-21-7-8-23(22(15-21)25(29)30)28-10-12-31-13-11-28/h1-9,14-15,27H,10-13,16-17H2,(H,29,30)