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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO5/c1-26-18-4-3-13(10-19(18)27-2)11-23-20(24)12-28-22(25)21-16-6-14-5-15(8-16)9-17(21)7-14/h3-4,10,14-17,21H,5-9,11-12H2,1-2H3,(H,23,24)