[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c23-18-3-1-2-17(9-18)19(26)13-29-20(27)4-5-24-21(28)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-3,9,14-16H,4-8,10-13H2,(H2,24,25,28)