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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O7/c1-29-17-5-4-16(19(30-2)20(17)31-3)21(27)32-12-18(26)24-22(28)25-23-9-13-6-14(10-23)8-15(7-13)11-23/h4-5,13-15H,6-12H2,1-3H3,(H2,24,25,26,28)