methyl 1-[4-(3-bromanylphenoxy)butanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[4-(3-bromanylphenoxy)butanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[4-(3-bromophenoxy)butanoylamino]cyclohexanecarboxylate CAS Name: 1-[[4-(3-bromophenoxy)-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3-bromophenoxy)butanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[4-(3-bromophenoxy)butanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H24BrNO4/c1-23-17(22)18(10-3-2-4-11-18)20-16(21)9-6-12-24-15-8-5-7-14(19)13-15/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,20,21)