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

Systemtic Name: 4,8-dimethyl-7-oxidanyl-6-[(oxolan-2-ylmethylamino)methyl]-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(tetrahydrofuran-2-ylmethylamino)methyl]chromen-2-one hydrochloride CAS Name: 7-hydroxy-4,8-dimethyl-6-[(2-oxolanylmethylamino)methyl]-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(oxolan-2-ylmethylamino)methyl]chromen-2-one hydrochloride Traditional Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(tetrahydrofurfurylamino)methyl]coumarin hydrochloride Formula: C24H28ClNO4 MolecularWeight: 429.93642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4.ClH/c1-15-20-12-18(13-25-14-19-9-6-10-28-19)22(26)16(2)23(20)29-24(27)21(15)11-17-7-4-3-5-8-17;/h3-5,7-8,12,19,25-26H,6,9-11,13-14H2,1-2H3;1H