tert-butyl 2-(2-methylpropyl)-5-(phenylmethoxymethyl)-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-methylpropyl)-5-(phenylmethoxymethyl)-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-5-(benzyloxymethyl)-2-isobutyl-piperazine-1-carboxylate CAS Name: 2-(2-methylpropyl)-5-(phenylmethoxymethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-2-(2-methylpropyl)-5-(phenylmethoxymethyl)piperazine-1-carboxylate Traditional Name: 5-(benzoxymethyl)-4-benzyl-2-isobutyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C28H40N2O3/c1-22(2)16-25-18-29(17-23-12-8-6-9-13-23)26(19-30(25)27(31)33-28(3,4)5)21-32-20-24-14-10-7-11-15-24/h6-15,22,25-26H,16-21H2,1-5H3