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

Systemtic Name: 4-methyl-8-[[(4-methylphenyl)amino]methyl]-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylanilino)methyl]chromen-2-one hydrochloride CAS Name: 7-hydroxy-4-methyl-8-[(4-methylanilino)methyl]-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylanilino)methyl]chromen-2-one hydrochloride Traditional Name: 3-benzyl-7-hydroxy-4-methyl-8-(p-toluidinomethyl)coumarin hydrochloride Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3.ClH/c1-16-8-10-19(11-9-16)26-15-22-23(27)13-12-20-17(2)21(25(28)29-24(20)22)14-18-6-4-3-5-7-18;/h3-13,26-27H,14-15H2,1-2H3;1H