[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(3-bromanylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(3-bromophenoxy)propanoate CAS Name: 3-(3-bromophenoxy)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3-bromophenoxy)propanoate Traditional Name: 3-(3-bromophenoxy)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCOC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H21BrN2O4/c19-14-5-4-6-15(11-14)24-10-7-17(23)25-12-16(22)21-18(13-20)8-2-1-3-9-18/h4-6,11H,1-3,7-10,12H2,(H,21,22)