ethyl 6-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]hexanoate

Systemtic Name: ethyl 6-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]hexanoate Openeye Name: ethyl 6-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]hexanoate CAS Name: 6-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]hexanoate Traditional Name: 6-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]hexanoic acid ethyl ester Formula: C28H40N2O5 MolecularWeight: 484.6276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCOC1=C(C=CC(=C1OC)OC)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C28H40N2O5/c1-4-34-26(31)13-9-6-10-20-35-27-24(14-15-25(32-2)28(27)33-3)22-30-18-16-29(17-19-30)21-23-11-7-5-8-12-23/h5,7-8,11-12,14-15H,4,6,9-10,13,16-22H2,1-3H3