methyl 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(1-adamantylmethylamino)-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C18H27N3O2 MolecularWeight: 317.42588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N3O2/c1-23-17(22)16(5-15-9-19-11-21-15)20-10-18-6-12-2-13(7-18)4-14(3-12)8-18/h9,11-14,16,20H,2-8,10H2,1H3,(H,19,21)