(2-oxidanyl-3-phenoxy-phenyl)methyl 2-(2-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-methyl-butanoate

Systemtic Name: (2-oxidanyl-3-phenoxy-phenyl)methyl 2-(2-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-methyl-butanoate Openeye Name: (2-hydroxy-3-phenoxy-phenyl)methyl 2-(2-bromoindan-1-yl)-3-methyl-butanoate CAS Name: 2-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylbutanoic acid (2-hydroxy-3-phenoxyphenyl)methyl ester IUPAC Name: (2-hydroxy-3-phenoxyphenyl)methyl 2-(2-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylbutanoate Traditional Name: 2-(2-bromoindan-1-yl)-3-methyl-butyric acid (2-hydroxy-3-phenoxy-benzyl) ester Formula: C27H27BrO4 MolecularWeight: 495.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C(CC2=CC=CC=C12)Br)C(=O)OCC3=C(C(=CC=C3)OC4=CC=CC=C4)O

Isomeric SMILES

CC(C)C(C1C(CC2=CC=CC=C12)Br)C(=O)OCC3=C(C(=CC=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C27H27BrO4/c1-17(2)24(25-21-13-7-6-9-18(21)15-22(25)28)27(30)31-16-19-10-8-14-23(26(19)29)32-20-11-4-3-5-12-20/h3-14,17,22,24-25,29H,15-16H2,1-2H3