6-chloranyl-7-oxidanyl-8-[(oxolan-2-ylmethylamino)methyl]-4-phenyl-chromen-2-one hydrochloride

Systemtic Name: 6-chloranyl-7-oxidanyl-8-[(oxolan-2-ylmethylamino)methyl]-4-phenyl-chromen-2-one hydrochloride Openeye Name: 6-chloro-7-hydroxy-4-phenyl-8-[(tetrahydrofuran-2-ylmethylamino)methyl]chromen-2-one hydrochloride CAS Name: 6-chloro-7-hydroxy-8-[(2-oxolanylmethylamino)methyl]-4-phenyl-1-benzopyran-2-one hydrochloride IUPAC Name: 6-chloro-7-hydroxy-8-[(oxolan-2-ylmethylamino)methyl]-4-phenylchromen-2-one hydrochloride Traditional Name: 6-chloro-7-hydroxy-4-phenyl-8-[(tetrahydrofurfurylamino)methyl]coumarin hydrochloride Formula: C21H21Cl2NO4 MolecularWeight: 422.30174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNCC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CC(OC1)CNCC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H20ClNO4.ClH/c22-18-9-16-15(13-5-2-1-3-6-13)10-19(24)27-21(16)17(20(18)25)12-23-11-14-7-4-8-26-14;/h1-3,5-6,9-10,14,23,25H,4,7-8,11-12H2;1H