[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] 2,2-dimethylpropanoate

Systemtic Name: [2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl] 2,2-dimethylpropanoate Openeye Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O4/c1-25(2,3)24(28)31-22-20(11-12-21(29-4)23(22)30-5)18-27-15-13-26(14-16-27)17-19-9-7-6-8-10-19/h6-12H,13-18H2,1-5H3