3-[4-[2-(naphthalen-2-yloxymethyl)-3-(phenylcarbonyl)-5-phenylmethoxy-indol-1-yl]butanoylamino]propanoic acid

Systemtic Name: 3-[4-[2-(naphthalen-2-yloxymethyl)-3-(phenylcarbonyl)-5-phenylmethoxy-indol-1-yl]butanoylamino]propanoic acid Openeye Name: 3-[4-[3-benzoyl-5-benzyloxy-2-(2-naphthyloxymethyl)indol-1-yl]butanoylamino]propanoic acid CAS Name: 3-[[4-[3-benzoyl-2-(2-naphthalenyloxymethyl)-5-phenylmethoxy-1-indolyl]-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[4-[3-benzoyl-2-(naphthalen-2-yloxymethyl)-5-phenylmethoxyindol-1-yl]butanoylamino]propanoic acid Traditional Name: 3-[4-[5-benzoxy-3-benzoyl-2-(2-naphthoxymethyl)indol-1-yl]butanoylamino]propionic acid Formula: C40H36N2O6 MolecularWeight: 640.72364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC=CC=C4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3C(=O)C4=CC=CC=C4)COC5=CC6=CC=CC=C6C=C5)CCCC(=O)NCCC(=O)O

InChI

InChI=1S/C40H36N2O6/c43-37(41-22-21-38(44)45)16-9-23-42-35-20-19-33(47-26-28-10-3-1-4-11-28)25-34(35)39(40(46)30-13-5-2-6-14-30)36(42)27-48-32-18-17-29-12-7-8-15-31(29)24-32/h1-8,10-15,17-20,24-25H,9,16,21-23,26-27H2,(H,41,43)(H,44,45)