[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C25H27N3O5/c1-32-19-11-8-18(9-12-19)10-13-22(29)27-21-7-3-2-6-20(21)24(31)33-16-23(30)28-25(17-26)14-4-5-15-25/h2-3,6-9,11-12H,4-5,10,13-16H2,1H3,(H,27,29)(H,28,30)