5-[[3-(hydroxymethyl)phenyl]-propyl-amino]-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[[3-(hydroxymethyl)phenyl]-propyl-amino]-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propyl-anilino]-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propylanilino]-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propylanilino]-2-[2-(4-hydroxyphenyl)ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-5-(3-methylol-N-propyl-anilino)-3H-pyran-4-one Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)CO)C2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

Isomeric SMILES

CCCN(C1=CC=CC(=C1)CO)C2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C(C)C)O

InChI

InChI=1S/C26H33NO5/c1-4-14-27(21-7-5-6-20(15-21)17-28)24-23(30)16-26(18(2)3,32-25(24)31)13-12-19-8-10-22(29)11-9-19/h5-11,15,18,28-29,31H,4,12-14,16-17H2,1-3H3