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

Systemtic Name: 2-(diethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-(diethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid CAS Name: 2-(diethylamino)-5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-(diethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-(diethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid Formula: C31H38N2O4 MolecularWeight: 502.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H38N2O4/c1-3-33(4-2)29-20-17-26(23-28(29)31(35)36)32-30(34)21-16-25-14-18-27(19-15-25)37-22-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,14-15,17-20,23H,3-4,6,9-10,13,16,21-22H2,1-2H3,(H,32,34)(H,35,36)