[2-[[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[[2-(2-chloroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[[2-(2-chloroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H27ClN2O4/c1-25(11-19(26)24-18-5-3-2-4-17(18)23)20(27)12-29-22(28)21-15-7-13-6-14(9-15)10-16(21)8-13/h2-5,13-16,21H,6-12H2,1H3,(H,24,26)