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

Systemtic Name: 1-adamantylmethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Openeye Name: 1-adamantylmethyl 6-[(tert-butoxycarbonylamino)methyl]pyridine-3-carboxylate CAS Name: 6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-pyridinecarboxylic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-carboxylate Traditional Name: 6-[(tert-butoxycarbonylamino)methyl]nicotinic acid 1-adamantylmethyl ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NC=C(C=C1)C(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NC=C(C=C1)C(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O4/c1-22(2,3)29-21(27)25-13-19-5-4-18(12-24-19)20(26)28-14-23-9-15-6-16(10-23)8-17(7-15)11-23/h4-5,12,15-17H,6-11,13-14H2,1-3H3,(H,25,27)