3-[4-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)cyclohexa-2,5-dien-1-yl]oxypropanoic acid

Systemtic Name: 3-[4-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(quinolin-2-ylmethoxy)cyclohexa-2,5-dien-1-yl]oxypropanoic acid Openeye Name: 3-[4-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)cyclohexa-2,5-dien-1-yl]oxypropanoic acid CAS Name: 3-[[4-[(2-cyano-4H-1-benzopyran-7-yl)-methoxymethyl]-4-(2-quinolinylmethoxy)-1-cyclohexa-2,5-dienyl]oxy]propanoic acid IUPAC Name: 3-[4-[(2-cyano-4H-chromen-7-yl)-methoxymethyl]-4-(quinolin-2-ylmethoxy)cyclohexa-2,5-dien-1-yl]oxypropanoic acid Traditional Name: 3-[4-[(2-cyano-4H-chromen-7-yl)-methoxy-methyl]-4-(2-quinolylmethoxy)cyclohexa-2,5-dien-1-yl]oxypropionic acid Formula: C31H28N2O6 MolecularWeight: 524.56382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O6/c1-36-30(23-7-6-22-9-11-26(19-32)39-28(22)18-23)31(15-12-25(13-16-31)37-17-14-29(34)35)38-20-24-10-8-21-4-2-3-5-27(21)33-24/h2-8,10-13,15-16,18,25,30H,9,14,17,20H2,1H3,(H,34,35)