(3-phenoxyphenyl)methyl 2-(4-fluoranyl-1H-inden-2-yl)-3-methyl-butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-(4-fluoranyl-1H-inden-2-yl)-3-methyl-butanoate Openeye Name: (3-phenoxyphenyl)methyl 2-(4-fluoro-1H-inden-2-yl)-3-methyl-butanoate CAS Name: 2-(4-fluoro-1H-inden-2-yl)-3-methylbutanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-fluoro-1H-inden-2-yl)-3-methylbutanoate Traditional Name: 2-(4-fluoro-1H-inden-2-yl)-3-methyl-butyric acid (3-phenoxybenzyl) ester Formula: C27H25FO3 MolecularWeight: 416.484003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C1)C=CC=C2F)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C1)C=CC=C2F)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25FO3/c1-18(2)26(21-15-20-9-7-13-25(28)24(20)16-21)27(29)30-17-19-8-6-12-23(14-19)31-22-10-4-3-5-11-22/h3-14,16,18,26H,15,17H2,1-2H3