(3-phenoxyphenyl)methyl 2-(5-bromanyl-1H-inden-2-yl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(5-bromanyl-1H-inden-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(5-bromo-1H-inden-2-yl)-3-methyl-butanoate CAS Name: 2-(5-bromo-1H-inden-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(5-bromo-1H-inden-2-yl)-3-methylbutanoate Traditional Name: 2-(5-bromo-1H-inden-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C27H25BrO3 MolecularWeight: 477.3896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C1)C=CC(=C2)Br)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C1)C=CC(=C2)Br)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25BrO3/c1-18(2)26(22-14-20-11-12-23(28)16-21(20)15-22)27(29)30-17-19-7-6-10-25(13-19)31-24-8-4-3-5-9-24/h3-13,15-16,18,26H,14,17H2,1-2H3