[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-pyridin-4-ylpiperazine-1-carboxylate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-pyridin-4-ylpiperazine-1-carboxylate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl 4-(4-pyridyl)piperazine-1-carboxylate CAS Name: 4-pyridin-4-yl-1-piperazinecarboxylic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl 4-pyridin-4-ylpiperazine-1-carboxylate Traditional Name: 4-(4-pyridyl)piperazine-1-carboxylic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3=CC=NC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)COC(=O)N2CCN(CC2)C3=CC=NC=C3)O

InChI

InChI=1S/C22H25N3O3/c1-22(2,27)10-7-18-3-5-19(6-4-18)17-28-21(26)25-15-13-24(14-16-25)20-8-11-23-12-9-20/h3-6,8-9,11-12,27H,13-17H2,1-2H3