6-chloranyl-4-methyl-7-oxidanyl-8-[(oxolan-2-ylmethylamino)methyl]-3-(phenylmethyl)chromen-2-one hydrochloride

Systemtic Name: 6-chloranyl-4-methyl-7-oxidanyl-8-[(oxolan-2-ylmethylamino)methyl]-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(tetrahydrofuran-2-ylmethylamino)methyl]chromen-2-one hydrochloride CAS Name: 6-chloro-7-hydroxy-4-methyl-8-[(2-oxolanylmethylamino)methyl]-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(oxolan-2-ylmethylamino)methyl]chromen-2-one hydrochloride Traditional Name: 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(tetrahydrofurfurylamino)methyl]coumarin hydrochloride Formula: C23H25Cl2NO4 MolecularWeight: 450.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3CCCO3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3CCCO3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C23H24ClNO4.ClH/c1-14-17-11-20(24)21(26)19(13-25-12-16-8-5-9-28-16)22(17)29-23(27)18(14)10-15-6-3-2-4-7-15;/h2-4,6-7,11,16,25-26H,5,8-10,12-13H2,1H3;1H