[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C22H26Cl2N2O4 MolecularWeight: 453.35884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H26Cl2N2O4/c23-16-1-2-17(18(24)8-16)19(27)12-30-20(28)3-4-25-21(29)26-22-9-13-5-14(10-22)7-15(6-13)11-22/h1-2,8,13-15H,3-7,9-12H2,(H2,25,26,29)