2-bromanyl-6-methoxy-4-[[4-[(5-methyl-2-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[[4-[(5-methyl-2-oxidanyl-phenyl)methyl]piperazin-1-yl]methyl]phenol Openeye Name: 2-bromo-4-[[4-[(2-hydroxy-5-methyl-phenyl)methyl]piperazin-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[4-[(2-hydroxy-5-methylphenyl)methyl]-1-piperazinyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[4-[(2-hydroxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[4-(2-hydroxy-5-methyl-benzyl)piperazino]methyl]-6-methoxy-phenol Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CN2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)CN2CCN(CC2)CC3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C20H25BrN2O3/c1-14-3-4-18(24)16(9-14)13-23-7-5-22(6-8-23)12-15-10-17(21)20(25)19(11-15)26-2/h3-4,9-11,24-25H,5-8,12-13H2,1-2H3