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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C23H31NO6 MolecularWeight: 417.49534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO6/c1-27-18-7-17(8-19(28-2)21(18)29-3)12-24-20(25)13-30-22(26)23-9-14-4-15(10-23)6-16(5-14)11-23/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,24,25)