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

Systemtic Name: 3-[[(2S)-2,4-bis(phenylmethyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol Openeye Name: 3-[(4-tert-butylphenyl)-[(2S)-2,4-dibenzylpiperazin-1-yl]methyl]phenol CAS Name: 3-[[(2S)-2,4-bis(phenylmethyl)-1-piperazinyl]-(4-tert-butylphenyl)methyl]phenol IUPAC Name: 3-[(4-tert-butylphenyl)-[(2S)-2,4-dibenzylpiperazin-1-yl]methyl]phenol Traditional Name: 3-[(4-tert-butylphenyl)-[(2S)-2,4-dibenzylpiperazino]methyl]phenol Formula: C35H40N2O MolecularWeight: 504.7049

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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(CC3CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CC(=CC=C2)O)N3CCN(C[C@@H]3CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C35H40N2O/c1-35(2,3)31-19-17-29(18-20-31)34(30-15-10-16-33(38)24-30)37-22-21-36(25-28-13-8-5-9-14-28)26-32(37)23-27-11-6-4-7-12-27/h4-20,24,32,34,38H,21-23,25-26H2,1-3H3/t32-,34?/m0/s1