5-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]-propyl-amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]-propyl-amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-oxo-3H-pyran-5-yl]-propyl-amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-propylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]-propylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-isopropyl-4-keto-3H-pyran-5-yl]-propyl-amino]isophthalic acid Formula: C27H31NO8 MolecularWeight: 497.53694

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H31NO8/c1-4-11-28(20-13-18(24(31)32)12-19(14-20)25(33)34)23-22(30)15-27(16(2)3,36-26(23)35)10-9-17-5-7-21(29)8-6-17/h5-8,12-14,16,29,35H,4,9-11,15H2,1-3H3,(H,31,32)(H,33,34)