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

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C24H32N2O6 MolecularWeight: 444.52068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C24H32N2O6/c1-3-30-19-6-5-18(10-20(19)31-4-2)22(28)32-14-21(27)25-23(29)26-24-11-15-7-16(12-24)9-17(8-15)13-24/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3,(H2,25,26,27,29)