2-[(1R,2S,4E)-4-[(4-bromophenyl)methylidene]-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoate

Systemtic Name: 2-[(1R,2S,4E)-4-[(4-bromophenyl)methylidene]-3-oxidanylidene-2-pentyl-cyclopentyl]ethanoate Openeye Name: 2-[(1R,2S,4E)-4-[(4-bromophenyl)methylene]-3-oxo-2-pentyl-cyclopentyl]acetate CAS Name: 2-[(1R,2S,4E)-4-[(4-bromophenyl)methylidene]-3-oxo-2-pentylcyclopentyl]acetate IUPAC Name: 2-[(1R,2S,4E)-4-[(4-bromophenyl)methylidene]-3-oxo-2-pentylcyclopentyl]acetate Traditional Name: 2-[(1R,2S,4E)-2-amyl-4-(4-bromobenzylidene)-3-keto-cyclopentyl]acetate Formula: C19H22BrO3- MolecularWeight: 378.28018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(CC(=CC2=CC=C(C=C2)Br)C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCC[C@H]1[C@H](C/C(=C\C2=CC=C(C=C2)Br)/C1=O)CC(=O)[O-]

InChI

InChI=1S/C19H23BrO3/c1-2-3-4-5-17-14(12-18(21)22)11-15(19(17)23)10-13-6-8-16(20)9-7-13/h6-10,14,17H,2-5,11-12H2,1H3,(H,21,22)/p-1/b15-10+/t14-,17+/m1/s1