[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H36N2O7 MolecularWeight: 488.57324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O7/c1-4-32-20-10-19(11-21(33-5-2)23(20)34-6-3)24(30)35-15-22(29)27-25(31)28-26-12-16-7-17(13-26)9-18(8-16)14-26/h10-11,16-18H,4-9,12-15H2,1-3H3,(H2,27,28,29,31)