3-[2-(2-carboxyethyl)-4-oxidanyl-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid

Systemtic Name: 3-[2-(2-carboxyethyl)-4-oxidanyl-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-4-hydroxy-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-4-hydroxy-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-4-hydroxy-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-4-hydroxy-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propionic acid Formula: C27H34O8 MolecularWeight: 486.55406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2O)(CCC(=O)O)CCC(=O)O)OCCCOC3=CC=CC=C3

InChI

InChI=1S/C27H34O8/c1-2-7-21-23(34-17-6-16-33-19-8-4-3-5-9-19)11-10-20-22(28)18-27(35-26(20)21,14-12-24(29)30)15-13-25(31)32/h3-5,8-11,22,28H,2,6-7,12-18H2,1H3,(H,29,30)(H,31,32)