2-morpholin-4-yl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-morpholin-4-yl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-morpholino-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-(4-morpholinyl)-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-morpholin-4-yl-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-morpholino-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OCCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OCCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H36N2O5/c34-30(32-26-13-16-29(28(23-26)31(35)36)33-18-21-37-22-19-33)17-12-25-10-14-27(15-11-25)38-20-6-2-5-9-24-7-3-1-4-8-24/h1,3-4,7-8,10-11,13-16,23H,2,5-6,9,12,17-22H2,(H,32,34)(H,35,36)