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

Systemtic Name: 4-[[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methyl]-2-iodanyl-6-methoxy-phenol Openeye Name: 4-[[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methyl]-2-iodo-6-methoxy-phenol CAS Name: 4-[[4-[(3,4-dimethylphenyl)methyl]-1-piperazinyl]methyl]-2-iodo-6-methoxyphenol IUPAC Name: 4-[[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methyl]-2-iodo-6-methoxyphenol Traditional Name: 4-[[4-(3,4-dimethylbenzyl)piperazino]methyl]-2-iodo-6-methoxy-phenol Formula: C21H27IN2O2 MolecularWeight: 466.35575

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27IN2O2/c1-15-4-5-17(10-16(15)2)13-23-6-8-24(9-7-23)14-18-11-19(22)21(25)20(12-18)26-3/h4-5,10-12,25H,6-9,13-14H2,1-3H3