tert-butyl 4-[[4-[(3-chlorophenyl)-oxidanyl-methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-[(3-chlorophenyl)-oxidanyl-methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[(3-chlorophenyl)-hydroxy-methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3-chlorophenyl)-hydroxymethyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(3-chlorophenyl)-hydroxymethyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3-chlorophenyl)-hydroxy-methyl]benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H29ClN2O3 MolecularWeight: 416.94096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(C3=CC(=CC=C3)Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C23H29ClN2O3/c1-23(2,3)29-22(28)26-13-11-25(12-14-26)16-17-7-9-18(10-8-17)21(27)19-5-4-6-20(24)15-19/h4-10,15,21,27H,11-14,16H2,1-3H3