5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]-2-pyrrolidin-1-yl-benzoic acid

Systemtic Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]-2-pyrrolidin-1-yl-benzoic acid Openeye Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]-2-pyrrolidin-1-yl-benzoic acid CAS Name: 5-[[1-oxo-3-[4-(5-phenylpentoxy)phenyl]propyl]amino]-2-(1-pyrrolidinyl)benzoic acid IUPAC Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]-2-pyrrolidin-1-ylbenzoic acid Traditional Name: 5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]-2-pyrrolidino-benzoic acid Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OCCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OCCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H36N2O4/c34-30(32-26-15-18-29(28(23-26)31(35)36)33-20-6-7-21-33)19-14-25-12-16-27(17-13-25)37-22-8-2-5-11-24-9-3-1-4-10-24/h1,3-4,9-10,12-13,15-18,23H,2,5-8,11,14,19-22H2,(H,32,34)(H,35,36)