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

Systemtic Name: 3-[2-[(2-ethylpiperidin-1-yl)methyl]-3-oxidanylidene-1-phenyl-butyl]-2-oxidanyl-chromen-4-one hydrochloride Openeye Name: 3-[2-[(2-ethyl-1-piperidyl)methyl]-3-oxo-1-phenyl-butyl]-2-hydroxy-chromen-4-one hydrochloride CAS Name: 3-[2-[(2-ethyl-1-piperidinyl)methyl]-3-oxo-1-phenylbutyl]-2-hydroxy-1-benzopyran-4-one hydrochloride IUPAC Name: 3-[2-[(2-ethylpiperidin-1-yl)methyl]-3-oxo-1-phenylbutyl]-2-hydroxychromen-4-one hydrochloride Traditional Name: 3-[2-[(2-ethylpiperidino)methyl]-3-keto-1-phenyl-butyl]-2-hydroxy-chromone hydrochloride Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC(C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O)C(=O)C.Cl

Isomeric SMILES

CCC1CCCCN1CC(C(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O)C(=O)C.Cl

InChI

InChI=1S/C27H31NO4.ClH/c1-3-20-13-9-10-16-28(20)17-22(18(2)29)24(19-11-5-4-6-12-19)25-26(30)21-14-7-8-15-23(21)32-27(25)31;/h4-8,11-12,14-15,20,22,24,31H,3,9-10,13,16-17H2,1-2H3;1H