[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClNO5/c1-26-15-3-4-16(17(6-15)27-2)23-18(24)11-28-19(25)20-7-13-5-14(8-20)10-21(22,9-13)12-20/h3-4,6,13-14H,5,7-12H2,1-2H3,(H,23,24)