5-(4-octoxyoctoxy)-4-(4-oxidanylidene-3-phenyl-chromen-7-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-(4-octoxyoctoxy)-4-(4-oxidanylidene-3-phenyl-chromen-7-yl)pyridine-3-carboxylic acid Openeye Name: 5-(4-octoxyoctoxy)-4-(4-oxo-3-phenyl-chromen-7-yl)pyridine-3-carboxylic acid CAS Name: 5-(4-octoxyoctoxy)-4-(4-oxo-3-phenyl-1-benzopyran-7-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-(4-octoxyoctoxy)-4-(4-oxo-3-phenylchromen-7-yl)pyridine-3-carboxylic acid Traditional Name: 4-(4-keto-3-phenyl-chromen-7-yl)-5-(4-octoxyoctoxy)nicotinic acid Formula: C37H45NO6 MolecularWeight: 599.7563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(CCCC)CCCOC1=C(C(=CN=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCOC(CCCC)CCCOC1=C(C(=CN=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4

InChI

InChI=1S/C37H45NO6/c1-3-5-7-8-9-13-21-42-29(17-6-4-2)18-14-22-43-34-25-38-24-31(37(40)41)35(34)28-19-20-30-33(23-28)44-26-32(36(30)39)27-15-11-10-12-16-27/h10-12,15-16,19-20,23-26,29H,3-9,13-14,17-18,21-22H2,1-2H3,(H,40,41)