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

Systemtic Name: 6-chloranyl-4-ethyl-7-oxidanyl-8-[(oxolan-2-ylmethylamino)methyl]chromen-2-one hydrochloride Openeye Name: 6-chloro-4-ethyl-7-hydroxy-8-[(tetrahydrofuran-2-ylmethylamino)methyl]chromen-2-one hydrochloride CAS Name: 6-chloro-4-ethyl-7-hydroxy-8-[(2-oxolanylmethylamino)methyl]-1-benzopyran-2-one hydrochloride IUPAC Name: 6-chloro-4-ethyl-7-hydroxy-8-[(oxolan-2-ylmethylamino)methyl]chromen-2-one hydrochloride Traditional Name: 6-chloro-4-ethyl-7-hydroxy-8-[(tetrahydrofurfurylamino)methyl]coumarin hydrochloride Formula: C17H21Cl2NO4 MolecularWeight: 374.25894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3CCCO3.Cl

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3CCCO3.Cl

InChI

InChI=1S/C17H20ClNO4.ClH/c1-2-10-6-15(20)23-17-12(10)7-14(18)16(21)13(17)9-19-8-11-4-3-5-22-11;/h6-7,11,19,21H,2-5,8-9H2,1H3;1H