[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[(4-chloranylpyridin-2-yl)carbonylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate CAS Name: 2-[[(4-chloro-2-pyridinyl)-oxomethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate Traditional Name: 2-[(4-chloropicolinoyl)amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H24ClN3O4 MolecularWeight: 405.87526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)C4=NC=CC(=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)C4=NC=CC(=C4)Cl

InChI

InChI=1S/C20H24ClN3O4/c21-15-1-2-22-16(6-15)19(27)23-10-18(26)28-11-17(25)24-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,12-14H,3-5,7-11H2,(H,23,27)(H,24,25)