(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C19H27ClN4O3 MolecularWeight: 394.89568

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CN1C(=CN=C1COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C19H27ClN4O3/c1-24-15(20)10-22-16(24)11-27-17(25)2-3-21-18(26)23-19-7-12-4-13(8-19)6-14(5-12)9-19/h10,12-14H,2-9,11H2,1H3,(H2,21,23,26)