ethyl 5-(4-bromophenyl)-2-(2-methylpropyl)-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-(4-bromophenyl)-2-(2-methylpropyl)-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-(4-bromophenyl)-2-isobutyl-5-oxo-pentanoate CAS Name: 5-(4-bromophenyl)-2-(2-methylpropyl)-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-2-(2-methylpropyl)-5-oxopentanoate Traditional Name: 5-(4-bromophenyl)-2-isobutyl-5-keto-valeric acid ethyl ester Formula: C17H23BrO3 MolecularWeight: 355.26672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)C1=CC=C(C=C1)Br)CC(C)C

Isomeric SMILES

CCOC(=O)C(CCC(=O)C1=CC=C(C=C1)Br)CC(C)C

InChI

InChI=1S/C17H23BrO3/c1-4-21-17(20)14(11-12(2)3)7-10-16(19)13-5-8-15(18)9-6-13/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3