2-[3-ethyl-7-[(4-heptoxyphenyl)methoxy]-3-oxidanyl-1,2-dihydroinden-2-yl]ethanoate

Systemtic Name: 2-[3-ethyl-7-[(4-heptoxyphenyl)methoxy]-3-oxidanyl-1,2-dihydroinden-2-yl]ethanoate Openeye Name: 2-[1-ethyl-4-[(4-heptoxyphenyl)methoxy]-1-hydroxy-indan-2-yl]acetate CAS Name: 2-[3-ethyl-7-[(4-heptoxyphenyl)methoxy]-3-hydroxy-1,2-dihydroinden-2-yl]acetate IUPAC Name: 2-[3-ethyl-7-[(4-heptoxyphenyl)methoxy]-3-hydroxy-1,2-dihydroinden-2-yl]acetate Traditional Name: 2-[1-ethyl-4-(4-heptoxybenzyl)oxy-1-hydroxy-indan-2-yl]acetate Formula: C27H35O5- MolecularWeight: 439.5638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)COC2=CC=CC3=C2CC(C3(CC)O)CC(=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)COC2=CC=CC3=C2CC(C3(CC)O)CC(=O)[O-]

InChI

InChI=1S/C27H36O5/c1-3-5-6-7-8-16-31-22-14-12-20(13-15-22)19-32-25-11-9-10-24-23(25)17-21(18-26(28)29)27(24,30)4-2/h9-15,21,30H,3-8,16-19H2,1-2H3,(H,28,29)/p-1