3-[4-oxidanylidene-7-(5-phenylpentoxy)-8-propyl-chromen-2-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-7-(5-phenylpentoxy)-8-propyl-chromen-2-yl]propanoic acid Openeye Name: 3-[4-oxo-7-(5-phenylpentoxy)-8-propyl-chromen-2-yl]propanoic acid CAS Name: 3-[4-oxo-7-(5-phenylpentoxy)-8-propyl-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[4-oxo-7-(5-phenylpentoxy)-8-propylchromen-2-yl]propanoic acid Traditional Name: 3-[4-keto-7-(5-phenylpentoxy)-8-propyl-chromen-2-yl]propionic acid Formula: C26H30O5 MolecularWeight: 422.5134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)O)OCCCCCC3=CC=CC=C3

InChI

InChI=1S/C26H30O5/c1-2-9-22-24(30-17-8-4-7-12-19-10-5-3-6-11-19)15-14-21-23(27)18-20(31-26(21)22)13-16-25(28)29/h3,5-6,10-11,14-15,18H,2,4,7-9,12-13,16-17H2,1H3,(H,28,29)