4-[4-[5-(3-carboxypyridin-4-yl)-7-decoxy-4-oxidanylidene-chromen-3-yl]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[4-[5-(3-carboxypyridin-4-yl)-7-decoxy-4-oxidanylidene-chromen-3-yl]phenyl]pyridine-3-carboxylic acid Openeye Name: 4-[4-[5-(3-carboxy-4-pyridyl)-7-decoxy-4-oxo-chromen-3-yl]phenyl]pyridine-3-carboxylic acid CAS Name: 4-[4-[5-(3-carboxy-4-pyridinyl)-7-decoxy-4-oxo-1-benzopyran-3-yl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[4-[5-(3-carboxypyridin-4-yl)-7-decoxy-4-oxochromen-3-yl]phenyl]pyridine-3-carboxylic acid Traditional Name: 4-[4-[5-(3-carboxy-4-pyridyl)-7-decoxy-4-keto-chromen-3-yl]phenyl]nicotinic acid Formula: C37H36N2O7 MolecularWeight: 620.69094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C(=C1)C3=C(C=NC=C3)C(=O)O)C(=O)C(=CO2)C4=CC=C(C=C4)C5=C(C=NC=C5)C(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C(=C1)C3=C(C=NC=C3)C(=O)O)C(=O)C(=CO2)C4=CC=C(C=C4)C5=C(C=NC=C5)C(=O)O

InChI

InChI=1S/C37H36N2O7/c1-2-3-4-5-6-7-8-9-18-45-26-19-29(28-15-17-39-22-31(28)37(43)44)34-33(20-26)46-23-32(35(34)40)25-12-10-24(11-13-25)27-14-16-38-21-30(27)36(41)42/h10-17,19-23H,2-9,18H2,1H3,(H,41,42)(H,43,44)