[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CC2)NC(=O)C3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2CC2)NC(=O)C3CCCCC3)OC

InChI

InChI=1S/C21H28N2O6/c1-27-17-10-15(21(26)29-12-19(24)22-14-8-9-14)16(11-18(17)28-2)23-20(25)13-6-4-3-5-7-13/h10-11,13-14H,3-9,12H2,1-2H3,(H,22,24)(H,23,25)