[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H29ClN2O5 MolecularWeight: 436.92906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2(CCCCC2)C#N)OCC

InChI

InChI=1S/C22H29ClN2O5/c1-4-11-29-19-17(23)12-16(13-18(19)28-5-2)21(27)30-15(3)20(26)25-22(14-24)9-7-6-8-10-22/h12-13,15H,4-11H2,1-3H3,(H,25,26)