3-(4-hydroxyphenyl)-7-oxidanyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-chromen-4-one hydrochloride

Systemtic Name: 3-(4-hydroxyphenyl)-7-oxidanyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-chromen-4-one hydrochloride Openeye Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-[2-(1-piperidyl)ethoxy]benzoyl]chromen-4-one hydrochloride CAS Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-4-one hydrochloride IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)benzoyl]chromen-4-one hydrochloride Traditional Name: 7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidinoethoxy)benzoyl]chromone hydrochloride Formula: C29H28ClNO6 MolecularWeight: 521.98872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(C(=O)C4=C(O3)C=C(C=C4)O)C5=CC=C(C=C5)O.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(C(=O)C4=C(O3)C=C(C=C4)O)C5=CC=C(C=C5)O.Cl

InChI

InChI=1S/C29H27NO6.ClH/c31-21-8-4-19(5-9-21)26-28(34)24-13-10-22(32)18-25(24)36-29(26)27(33)20-6-11-23(12-7-20)35-17-16-30-14-2-1-3-15-30;/h4-13,18,31-32H,1-3,14-17H2;1H