7-[3-(2-ethyl-4-methoxy-5-oxidanyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-(2-ethyl-4-methoxy-5-oxidanyl-phenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(2-ethyl-5-hydroxy-4-methoxy-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-(2-ethyl-5-hydroxy-4-methoxyphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(2-ethyl-5-hydroxy-4-methoxyphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(2-ethyl-5-hydroxy-4-methoxy-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C25H32O7 MolecularWeight: 444.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=CC(=C(C=C3CC)OC)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=CC(=C(C=C3CC)OC)O

InChI

InChI=1S/C25H32O7/c1-4-7-18-20(10-8-17-9-11-21(25(27)28)32-24(17)18)30-12-6-13-31-22-15-19(26)23(29-3)14-16(22)5-2/h8,10,14-15,21,26H,4-7,9,11-13H2,1-3H3,(H,27,28)