2-adamantyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate

Systemtic Name: 2-adamantyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Openeye Name: 2-adamantyl 6-[(tert-butoxycarbonylamino)methyl]pyridine-3-carboxylate CAS Name: 6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-pyridinecarboxylic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Traditional Name: 6-[(tert-butoxycarbonylamino)methyl]nicotinic acid 2-adamantyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NC=C(C=C1)C(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NC=C(C=C1)C(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H30N2O4/c1-22(2,3)28-21(26)24-12-18-5-4-15(11-23-18)20(25)27-19-16-7-13-6-14(9-16)10-17(19)8-13/h4-5,11,13-14,16-17,19H,6-10,12H2,1-3H3,(H,24,26)