[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)OCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H26ClN3O4/c22-19-16(2-1-4-23-19)25-17(26)12-29-18(27)3-5-24-20(28)21-9-13-6-14(10-21)8-15(7-13)11-21/h1-2,4,13-15H,3,5-12H2,(H,24,28)(H,25,26)