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

Systemtic Name: 5-[(3-ethoxy-4-phenylmethoxy-phenyl)methylamino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[(4-benzyloxy-3-ethoxy-phenyl)methylamino]-2-morpholino-benzoic acid CAS Name: 5-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[(4-benzoxy-3-ethoxy-benzyl)amino]-2-morpholino-benzoic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-2-33-26-16-21(8-11-25(26)34-19-20-6-4-3-5-7-20)18-28-22-9-10-24(23(17-22)27(30)31)29-12-14-32-15-13-29/h3-11,16-17,28H,2,12-15,18-19H2,1H3,(H,30,31)