4-ethyl-7-octan-2-yl-5-oxidanyl-4-pyridin-2-yl-3H-chromen-2-one hydrochloride

Systemtic Name: 4-ethyl-7-octan-2-yl-5-oxidanyl-4-pyridin-2-yl-3H-chromen-2-one hydrochloride Openeye Name: 4-ethyl-5-hydroxy-7-(1-methylheptyl)-4-(2-pyridyl)chroman-2-one hydrochloride CAS Name: 4-ethyl-5-hydroxy-7-octan-2-yl-4-(2-pyridinyl)-3,4-dihydro-2H-1-benzopyran-2-one hydrochloride IUPAC Name: 4-ethyl-5-hydroxy-7-octan-2-yl-4-pyridin-2-yl-3H-chromen-2-one hydrochloride Traditional Name: 4-ethyl-5-hydroxy-7-(1-methylheptyl)-4-(2-pyridyl)chroman-2-one hydrochloride Formula: C24H32ClNO3 MolecularWeight: 417.96878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC2=C(C(=C1)O)C(CC(=O)O2)(CC)C3=CC=CC=N3.Cl

Isomeric SMILES

CCCCCCC(C)C1=CC2=C(C(=C1)O)C(CC(=O)O2)(CC)C3=CC=CC=N3.Cl

InChI

InChI=1S/C24H31NO3.ClH/c1-4-6-7-8-11-17(3)18-14-19(26)23-20(15-18)28-22(27)16-24(23,5-2)21-12-9-10-13-25-21;/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3;1H