3-[(S)-(4-tert-butylphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 3-[(S)-(4-tert-butylphenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 3-[(S)-(4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methyl]phenol CAS Name: 3-[(S)-(4-tert-butylphenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 3-[(S)-(4-benzylpiperazin-1-yl)-(4-tert-butylphenyl)methyl]phenol Traditional Name: 3-[(S)-(4-benzylpiperazino)-(4-tert-butylphenyl)methyl]phenol Formula: C28H34N2O MolecularWeight: 414.58236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3/t27-/m0/s1