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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(3,4-diethoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate CAS Name: 2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]acetic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate Traditional Name: 2-[(3,4-diethoxybenzoyl)amino]acetic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C25H33NO6/c1-3-30-20-6-5-19(10-21(20)31-4-2)24(29)26-14-23(28)32-15-22(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,26,29)