3-[2-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid

Systemtic Name: 3-[2-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid Openeye Name: 3-[2-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)phenoxy]propanoic acid CAS Name: 3-[2-[(2-cyano-4H-1-benzopyran-7-yl)-methoxymethyl]-4-(2-quinolinylmethoxy)phenoxy]propanoic acid IUPAC Name: 3-[2-[(2-cyano-4H-chromen-7-yl)-methoxymethyl]-4-(quinolin-2-ylmethoxy)phenoxy]propanoic acid Traditional Name: 3-[2-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)phenoxy]propionic acid Formula: C31H26N2O6 MolecularWeight: 522.54794

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC2=C(CC=C(O2)C#N)C=C1)C3=C(C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)OCCC(=O)O

Isomeric SMILES

COC(C1=CC2=C(CC=C(O2)C#N)C=C1)C3=C(C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)OCCC(=O)O

InChI

InChI=1S/C31H26N2O6/c1-36-31(22-7-6-21-9-11-25(18-32)39-29(21)16-22)26-17-24(12-13-28(26)37-15-14-30(34)35)38-19-23-10-8-20-4-2-3-5-27(20)33-23/h2-8,10-13,16-17,31H,9,14-15,19H2,1H3,(H,34,35)