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

Systemtic Name: 3-[2-(2-carboxyethyl)-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Openeye Name: 3-[2-(2-carboxyethyl)-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propanoic acid CAS Name: 3-[2-(2-carboxyethyl)-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[2-(2-carboxyethyl)-7-(3-phenoxypropoxy)-8-propyl-3,4-dihydrochromen-2-yl]propanoic acid Traditional Name: 3-[2-(2-carboxyethyl)-7-(3-phenoxypropoxy)-8-propyl-chroman-2-yl]propionic acid Formula: C27H34O7 MolecularWeight: 470.55466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O7/c1-2-7-22-23(33-19-6-18-32-21-8-4-3-5-9-21)11-10-20-12-15-27(34-26(20)22,16-13-24(28)29)17-14-25(30)31/h3-5,8-11H,2,6-7,12-19H2,1H3,(H,28,29)(H,30,31)