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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-26-17-7-16(8-18(27-2)20(17)28-3)23-19(24)12-29-21(25)22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,23,24)