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

Systemtic Name: 3-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]-propyl-amino]benzoic acid Openeye Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]-propyl-amino]benzoic acid CAS Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-propylamino]benzoic acid IUPAC Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-propylamino]benzoic acid Traditional Name: 3-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-keto-3H-pyran-5-yl]-propyl-amino]benzoic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6/c1-4-14-27(20-7-5-6-19(15-20)24(30)31)23-22(29)16-26(17(2)3,33-25(23)32)13-12-18-8-10-21(28)11-9-18/h5-11,15,17,28,32H,4,12-14,16H2,1-3H3,(H,30,31)