2-[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butanoate

Systemtic Name: 2-[2,4-bis(bromanyl)-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butanoate Openeye Name: 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butanoate CAS Name: 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butanoate IUPAC Name: 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butanoate Traditional Name: 2-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenoxy]butyrate Formula: C18H24Br2NO3- MolecularWeight: 462.19606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br

Isomeric SMILES

CCC(C(=O)[O-])OC1=C(C=C(C=C1CN(C)C2CCCCC2)Br)Br

InChI

InChI=1S/C18H25Br2NO3/c1-3-16(18(22)23)24-17-12(9-13(19)10-15(17)20)11-21(2)14-7-5-4-6-8-14/h9-10,14,16H,3-8,11H2,1-2H3,(H,22,23)/p-1