[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)OC

InChI

InChI=1S/C21H27NO5/c1-25-17-4-3-16(10-18(17)26-2)22-19(23)11-27-21(24)20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10,12-15,20H,5-9,11H2,1-2H3,(H,22,23)