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

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C21H27NO5/c1-25-17-6-16(7-18(8-17)26-2)22-19(23)12-27-20(24)21-9-13-3-14(10-21)5-15(4-13)11-21/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,22,23)