methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1-oxido-3-pyridin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-oxidopyridin-1-ium-3-yl)propionic acid methyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)OC)NC(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)OC)NC(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H28N2O5/c1-21(19(24)27-2,11-13-4-3-5-23(26)12-13)22-20(25)28-18-16-7-14-6-15(9-16)10-17(18)8-14/h3-5,12,14-18H,6-11H2,1-2H3,(H,22,25)