[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O6 MolecularWeight: 458.54726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6/c1-3-31-20-6-5-19(10-21(20)32-4-2)24(30)26-14-23(29)33-15-22(28)27-25-11-16-7-17(12-25)9-18(8-16)13-25/h5-6,10,16-18H,3-4,7-9,11-15H2,1-2H3,(H,26,30)(H,27,28)