methyl 2-[(3-bromanylcyclohexyl)oxymethyl]-6-methyl-benzoate

Systemtic Name: methyl 2-[(3-bromanylcyclohexyl)oxymethyl]-6-methyl-benzoate Openeye Name: methyl 2-[(3-bromocyclohexoxy)methyl]-6-methyl-benzoate CAS Name: 2-[(3-bromocyclohexyl)oxymethyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[(3-bromocyclohexyl)oxymethyl]-6-methylbenzoate Traditional Name: 2-[(3-bromocyclohexoxy)methyl]-6-methyl-benzoic acid methyl ester Formula: C16H21BrO3 MolecularWeight: 341.24014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2CCCC(C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)COC2CCCC(C2)Br)C(=O)OC

InChI

InChI=1S/C16H21BrO3/c1-11-5-3-6-12(15(11)16(18)19-2)10-20-14-8-4-7-13(17)9-14/h3,5-6,13-14H,4,7-10H2,1-2H3