2-[6-[[3-(4-heptan-4-yloxy-2-methyl-phenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-(4-heptan-4-yloxy-2-methyl-phenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[[3-[2-methyl-4-(1-propylbutoxy)phenyl]phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[[3-(4-heptan-4-yloxy-2-methylphenyl)phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[[3-(4-heptan-4-yloxy-2-methylphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[3-[2-methyl-4-(1-propylbutoxy)phenyl]benzyl]oxycoumaran-3-yl]acetic acid Formula: C31H36O5 MolecularWeight: 488.61454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC1=CC(=C(C=C1)C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C

Isomeric SMILES

CCCC(CCC)OC1=CC(=C(C=C1)C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C

InChI

InChI=1S/C31H36O5/c1-4-7-25(8-5-2)36-27-12-13-28(21(3)15-27)23-10-6-9-22(16-23)19-34-26-11-14-29-24(17-31(32)33)20-35-30(29)18-26/h6,9-16,18,24-25H,4-5,7-8,17,19-20H2,1-3H3,(H,32,33)