[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(pyridin-3-ylcarbonylamino)carbamate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(pyridin-3-ylcarbonylamino)carbamate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl N-(pyridine-3-carbonylamino)carbamate CAS Name: N-[[oxo(3-pyridinyl)methyl]amino]carbamic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl N-(pyridine-3-carbonylamino)carbamate Traditional Name: N-nicotinamidocarbamic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CN=CC=C2)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NNC(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C19H19N3O4/c1-19(2,25)10-9-14-5-7-15(8-6-14)13-26-18(24)22-21-17(23)16-4-3-11-20-12-16/h3-8,11-12,25H,13H2,1-2H3,(H,21,23)(H,22,24)