3-[2-[[methyl-(phenylmethyl)amino]methyl]-3-oxidanylidene-1-phenyl-butyl]-2-oxidanyl-chromen-4-one hydrochloride

Systemtic Name: 3-[2-[[methyl-(phenylmethyl)amino]methyl]-3-oxidanylidene-1-phenyl-butyl]-2-oxidanyl-chromen-4-one hydrochloride Openeye Name: 3-[2-[[benzyl(methyl)amino]methyl]-3-oxo-1-phenyl-butyl]-2-hydroxy-chromen-4-one hydrochloride CAS Name: 2-hydroxy-3-[2-[[methyl-(phenylmethyl)amino]methyl]-3-oxo-1-phenylbutyl]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-[2-[[benzyl(methyl)amino]methyl]-3-oxo-1-phenylbutyl]-2-hydroxychromen-4-one hydrochloride Traditional Name: 3-[2-[[benzyl(methyl)amino]methyl]-3-keto-1-phenyl-butyl]-2-hydroxy-chromone hydrochloride Formula: C28H28ClNO4 MolecularWeight: 477.97922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CN(C)CC1=CC=CC=C1)C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

CC(=O)C(CN(C)CC1=CC=CC=C1)C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C28H27NO4.ClH/c1-19(30)23(18-29(2)17-20-11-5-3-6-12-20)25(21-13-7-4-8-14-21)26-27(31)22-15-9-10-16-24(22)33-28(26)32;/h3-16,23,25,32H,17-18H2,1-2H3;1H