3-[(4-tert-butylphenyl)-[(2S)-2-methyl-4-(phenylmethyl)piperazin-1-yl]methyl]phenol

Systemtic Name: 3-[(4-tert-butylphenyl)-[(2S)-2-methyl-4-(phenylmethyl)piperazin-1-yl]methyl]phenol Openeye Name: 3-[[(2S)-4-benzyl-2-methyl-piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol CAS Name: 3-[(4-tert-butylphenyl)-[(2S)-2-methyl-4-(phenylmethyl)-1-piperazinyl]methyl]phenol IUPAC Name: 3-[[(2S)-4-benzyl-2-methylpiperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol Traditional Name: 3-[[(2S)-4-benzyl-2-methyl-piperazino]-(4-tert-butylphenyl)methyl]phenol Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(C2=CC=C(C=C2)C(C)(C)C)C3=CC(=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O/c1-22-20-30(21-23-9-6-5-7-10-23)17-18-31(22)28(25-11-8-12-27(32)19-25)24-13-15-26(16-14-24)29(2,3)4/h5-16,19,22,28,32H,17-18,20-21H2,1-4H3/t22-,28?/m0/s1