3-[2-(2-carboxyethyl)-4-oxidanylidene-7-phenylmethoxy-8-propyl-3H-chromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-oxidanylidene-7-phenylmethoxy-8-propyl-3H-chromen-2-yl]propanoic acid Openeye Name: 3-[7-benzyloxy-2-(2-carboxyethyl)-4-oxo-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-oxo-7-phenylmethoxy-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-oxo-7-phenylmethoxy-8-propyl-3H-chromen-2-yl]propanoic acid Traditional Name: 3-[7-benzoxy-2-(2-carboxyethyl)-4-keto-8-propyl-chroman-2-yl]propionic acid Formula: C25H28O7 MolecularWeight: 440.48562

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2=O)(CCC(=O)O)CCC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28O7/c1-2-6-19-21(31-16-17-7-4-3-5-8-17)10-9-18-20(26)15-25(32-24(18)19,13-11-22(27)28)14-12-23(29)30/h3-5,7-10H,2,6,11-16H2,1H3,(H,27,28)(H,29,30)