[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-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:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O4/c1-13(25-15-7-5-14(19)6-8-15)17(23)24-11-16(22)21-18(12-20)9-3-2-4-10-18/h5-8,13H,2-4,9-11H2,1H3,(H,21,22)