[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C20H28BrNO4 MolecularWeight: 426.34462

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H28BrNO4/c1-14-6-3-9-18(15(14)2)22-19(23)13-26-20(24)10-5-11-25-17-8-4-7-16(21)12-17/h4,7-8,12,14-15,18H,3,5-6,9-11,13H2,1-2H3,(H,22,23)