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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C27H29BrN2O5 MolecularWeight: 541.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=C(C=C2)N3CCOCC3)C(=O)O)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29BrN2O5/c1-2-34-25-15-20(14-23(28)26(25)35-18-19-6-4-3-5-7-19)17-29-21-8-9-24(22(16-21)27(31)32)30-10-12-33-13-11-30/h3-9,14-16,29H,2,10-13,17-18H2,1H3,(H,31,32)