methyl 2-[(2-bromophenyl)methyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)methyl]-1-methyl-3-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)methyl]-1-methyl-3-oxo-cyclohexanecarboxylate CAS Name: 2-[(2-bromophenyl)methyl]-1-methyl-3-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methyl]-1-methyl-3-oxocyclohexane-1-carboxylate Traditional Name: 2-(2-bromobenzyl)-3-keto-1-methyl-cyclohexanecarboxylic acid methyl ester Formula: C16H19BrO3 MolecularWeight: 339.22426

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=CC=CC=C2Br)C(=O)OC

Isomeric SMILES

CC1(CCCC(=O)C1CC2=CC=CC=C2Br)C(=O)OC

InChI

InChI=1S/C16H19BrO3/c1-16(15(19)20-2)9-5-8-14(18)12(16)10-11-6-3-4-7-13(11)17/h3-4,6-7,12H,5,8-10H2,1-2H3