[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methyl]-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-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(4-tert-butylbenzyl)piperazine-1-carboxylic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C28H36N2O3/c1-27(2,3)25-12-10-23(11-13-25)20-29-16-18-30(19-17-29)26(31)33-21-24-8-6-22(7-9-24)14-15-28(4,5)32/h6-13,32H,16-21H2,1-5H3