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

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl 4-(1-phenylethyl)piperazine-1-carboxylate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl 4-(1-phenylethyl)piperazine-1-carboxylate CAS Name: 4-(1-phenylethyl)-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-(1-phenylethyl)piperazine-1-carboxylate Traditional Name: 4-(1-phenylethyl)piperazine-1-carboxylic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)C#CC(C)(C)O

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)OCC3=CC=C(C=C3)C#CC(C)(C)O

InChI

InChI=1S/C25H30N2O3/c1-20(23-7-5-4-6-8-23)26-15-17-27(18-16-26)24(28)30-19-22-11-9-21(10-12-22)13-14-25(2,3)29/h4-12,20,29H,15-19H2,1-3H3