2-[3-(2-methylpropyl)-4-[3-(phenylmethyl)piperazin-1-yl]phenyl]phenol

Systemtic Name: 2-[3-(2-methylpropyl)-4-[3-(phenylmethyl)piperazin-1-yl]phenyl]phenol Openeye Name: 2-[4-(3-benzylpiperazin-1-yl)-3-isobutyl-phenyl]phenol CAS Name: 2-[3-(2-methylpropyl)-4-[3-(phenylmethyl)-1-piperazinyl]phenyl]phenol IUPAC Name: 2-[4-(3-benzylpiperazin-1-yl)-3-(2-methylpropyl)phenyl]phenol Traditional Name: 2-[4-(3-benzylpiperazino)-3-isobutyl-phenyl]phenol Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O/c1-20(2)16-23-18-22(25-10-6-7-11-27(25)30)12-13-26(23)29-15-14-28-24(19-29)17-21-8-4-3-5-9-21/h3-13,18,20,24,28,30H,14-17,19H2,1-2H3