7-(3-methyloctan-2-yl)-5-oxidanyl-4-pyridin-4-yl-chromen-2-one

Systemtic Name: 7-(3-methyloctan-2-yl)-5-oxidanyl-4-pyridin-4-yl-chromen-2-one Openeye Name: 7-(1,2-dimethylheptyl)-5-hydroxy-4-(4-pyridyl)chromen-2-one CAS Name: 5-hydroxy-7-(3-methyloctan-2-yl)-4-pyridin-4-yl-1-benzopyran-2-one IUPAC Name: 5-hydroxy-7-(3-methyloctan-2-yl)-4-pyridin-4-ylchromen-2-one Traditional Name: 7-(1,2-dimethylheptyl)-5-hydroxy-4-(4-pyridyl)coumarin Formula: C23H27NO3 MolecularWeight: 365.46538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(C)C1=CC2=C(C(=CC(=O)O2)C3=CC=NC=C3)C(=C1)O

Isomeric SMILES

CCCCCC(C)C(C)C1=CC2=C(C(=CC(=O)O2)C3=CC=NC=C3)C(=C1)O

InChI

InChI=1S/C23H27NO3/c1-4-5-6-7-15(2)16(3)18-12-20(25)23-19(17-8-10-24-11-9-17)14-22(26)27-21(23)13-18/h8-16,25H,4-7H2,1-3H3