3-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]-propyl-amino]benzoic acid

Systemtic Name: 3-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]-propyl-amino]benzoic acid Openeye Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]-propyl-amino]benzoic acid CAS Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]-propylamino]benzoic acid IUPAC Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]-propylamino]benzoic acid Traditional Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-methyl-3H-pyran-5-yl]-propyl-amino]benzoic acid Formula: C24H27NO6 MolecularWeight: 425.47428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO6/c1-3-13-25(18-6-4-5-17(14-18)22(28)29)21-20(27)15-24(2,31-23(21)30)12-11-16-7-9-19(26)10-8-16/h4-10,14,26,30H,3,11-13,15H2,1-2H3,(H,28,29)