8-[[cyclohexyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-4-methyl-7-oxidanyl-chromen-2-one hydrochloride

Systemtic Name: 8-[[cyclohexyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]-4-methyl-7-oxidanyl-chromen-2-one hydrochloride Openeye Name: 8-[[cyclohexyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-7-hydroxy-4-methyl-chromen-2-one hydrochloride CAS Name: 8-[[cyclohexyl-(2-hydroxy-2-phenylethyl)amino]methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one hydrochloride IUPAC Name: 8-[[cyclohexyl-(2-hydroxy-2-phenylethyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one hydrochloride Traditional Name: 8-[[cyclohexyl-(2-hydroxy-2-phenyl-ethyl)amino]methyl]-7-hydroxy-4-methyl-coumarin hydrochloride Formula: C25H30ClNO4 MolecularWeight: 443.963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(C3=CC=CC=C3)O)C4CCCCC4)O.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CN(CC(C3=CC=CC=C3)O)C4CCCCC4)O.Cl

InChI

InChI=1S/C25H29NO4.ClH/c1-17-14-24(29)30-25-20(17)12-13-22(27)21(25)15-26(19-10-6-3-7-11-19)16-23(28)18-8-4-2-5-9-18;/h2,4-5,8-9,12-14,19,23,27-28H,3,6-7,10-11,15-16H2,1H3;1H