[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(3,4-diethoxyanilino)-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)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6/c1-4-31-20-7-6-19(9-21(20)32-5-2)26-22(29)14-33-23(30)24-10-17-8-18(11-24)13-25(12-17,15-24)27-16(3)28/h6-7,9,17-18H,4-5,8,10-15H2,1-3H3,(H,26,29)(H,27,28)