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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-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)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

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

InChI

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