methyl 2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]pyridine-4-carboxylate

Systemtic Name: methyl 2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]pyridine-4-carboxylate Openeye Name: methyl 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]pyridine-4-carboxylate CAS Name: 2-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]pyridine-4-carboxylate Traditional Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]isonicotinic acid methyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O4/c1-30-24(29)19-6-7-26-22(11-19)27-23(28)15-31-21-4-2-20(3-5-21)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,26,27,28)