[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(2-pyridin-2-ylethyl)carbamate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-(2-pyridin-2-ylethyl)carbamate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl N-[2-(2-pyridyl)ethyl]carbamate CAS Name: N-[2-(2-pyridinyl)ethyl]carbamic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl N-(2-pyridin-2-ylethyl)carbamate Traditional Name: N-[2-(2-pyridyl)ethyl]carbamic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NCCC2=CC=CC=N2)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)COC(=O)NCCC2=CC=CC=N2)O

InChI

InChI=1S/C20H22N2O3/c1-20(2,24)12-10-16-6-8-17(9-7-16)15-25-19(23)22-14-11-18-5-3-4-13-21-18/h3-9,13,24H,11,14-15H2,1-2H3,(H,22,23)