[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(cyclopentylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclopentyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(cyclopentanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclopentanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)NC(=O)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)NC(=O)C3CCCC3)OC

InChI

InChI=1S/C23H29N3O6/c1-30-18-11-16(17(12-19(18)31-2)25-21(28)15-7-3-4-8-15)22(29)32-13-20(27)26-23(14-24)9-5-6-10-23/h11-12,15H,3-10,13H2,1-2H3,(H,25,28)(H,26,27)