[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)NC(=O)C5CCCCC5)OC

InChI

InChI=1S/C28H38N2O6/c1-34-23-11-21(22(12-24(23)35-2)29-26(32)20-6-4-3-5-7-20)27(33)36-16-25(31)30-28-13-17-8-18(14-28)10-19(9-17)15-28/h11-12,17-20H,3-10,13-16H2,1-2H3,(H,29,32)(H,30,31)