[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H36N2O6 MolecularWeight: 472.57384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C26H36N2O6/c1-15(2)23(27-24(30)19-8-20(32-3)10-21(9-19)33-4)25(31)34-14-22(29)28-26-11-16-5-17(12-26)7-18(6-16)13-26/h8-10,15-18,23H,5-7,11-14H2,1-4H3,(H,27,30)(H,28,29)