[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C24H31NO7 MolecularWeight: 445.50544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO7/c1-14(26)25-24-10-15-5-16(11-24)9-23(8-15,13-24)22(28)32-12-18(27)17-6-19(29-2)21(31-4)20(7-17)30-3/h6-7,15-16H,5,8-13H2,1-4H3,(H,25,26)