8-[[(3,5-dimethylphenyl)amino]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride

Systemtic Name: 8-[[(3,5-dimethylphenyl)amino]methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-8-[(3,5-dimethylanilino)methyl]-7-hydroxy-4-methyl-chromen-2-one hydrochloride CAS Name: 8-[(3,5-dimethylanilino)methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-8-[(3,5-dimethylanilino)methyl]-7-hydroxy-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-8-[(3,5-dimethylanilino)methyl]-7-hydroxy-4-methyl-coumarin hydrochloride Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NCC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)NCC2=C(C=CC3=C2OC(=O)C(=C3C)CC4=CC=CC=C4)O)C.Cl

InChI

InChI=1S/C26H25NO3.ClH/c1-16-11-17(2)13-20(12-16)27-15-23-24(28)10-9-21-18(3)22(26(29)30-25(21)23)14-19-7-5-4-6-8-19;/h4-13,27-28H,14-15H2,1-3H3;1H