4-[[4-[(2,3-dimethoxy-4-methyl-phenyl)methyl]piperazin-1-yl]methyl]-2-iodanyl-6-methoxy-phenol

Systemtic Name: 4-[[4-[(2,3-dimethoxy-4-methyl-phenyl)methyl]piperazin-1-yl]methyl]-2-iodanyl-6-methoxy-phenol Openeye Name: 4-[[4-[(2,3-dimethoxy-4-methyl-phenyl)methyl]piperazin-1-yl]methyl]-2-iodo-6-methoxy-phenol CAS Name: 4-[[4-[(2,3-dimethoxy-4-methylphenyl)methyl]-1-piperazinyl]methyl]-2-iodo-6-methoxyphenol IUPAC Name: 4-[[4-[(2,3-dimethoxy-4-methylphenyl)methyl]piperazin-1-yl]methyl]-2-iodo-6-methoxyphenol Traditional Name: 4-[[4-(2,3-dimethoxy-4-methyl-benzyl)piperazino]methyl]-2-iodo-6-methoxy-phenol Formula: C22H29IN2O4 MolecularWeight: 512.38113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29IN2O4/c1-15-5-6-17(22(29-4)21(15)28-3)14-25-9-7-24(8-10-25)13-16-11-18(23)20(26)19(12-16)27-2/h5-6,11-12,26H,7-10,13-14H2,1-4H3