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

Systemtic Name: 5-(4-heptoxyheptoxy)-4-(4-oxidanylidene-3-phenyl-chromen-7-yl)pyridine-3-carboxylic acid Openeye Name: 5-(4-heptoxyheptoxy)-4-(4-oxo-3-phenyl-chromen-7-yl)pyridine-3-carboxylic acid CAS Name: 5-(4-heptoxyheptoxy)-4-(4-oxo-3-phenyl-1-benzopyran-7-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-(4-heptoxyheptoxy)-4-(4-oxo-3-phenylchromen-7-yl)pyridine-3-carboxylic acid Traditional Name: 5-(4-heptoxyheptoxy)-4-(4-keto-3-phenyl-chromen-7-yl)nicotinic acid Formula: C35H41NO6 MolecularWeight: 571.70314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(CCC)CCCOC1=C(C(=CN=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCOC(CCC)CCCOC1=C(C(=CN=C1)C(=O)O)C2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4

InChI

InChI=1S/C35H41NO6/c1-3-5-6-7-11-19-40-27(13-4-2)16-12-20-41-32-23-36-22-29(35(38)39)33(32)26-17-18-28-31(21-26)42-24-30(34(28)37)25-14-9-8-10-15-25/h8-10,14-15,17-18,21-24,27H,3-7,11-13,16,19-20H2,1-2H3,(H,38,39)