[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H21BrN2O4/c19-14-5-3-6-15(11-14)24-10-4-7-17(23)25-12-16(22)21-18(13-20)8-1-2-9-18/h3,5-6,11H,1-2,4,7-10,12H2,(H,21,22)