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

Systemtic Name: 4,8-dimethyl-6-[[(4-methylphenyl)amino]methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(4-methylanilino)methyl]chromen-2-one hydrochloride CAS Name: 7-hydroxy-4,8-dimethyl-6-[(4-methylanilino)methyl]-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-[(4-methylanilino)methyl]chromen-2-one hydrochloride Traditional Name: 3-benzyl-7-hydroxy-4,8-dimethyl-6-(p-toluidinomethyl)coumarin hydrochloride Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=C(C(=C3C(=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=C(C(=C3C(=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)O.Cl

InChI

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