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

Systemtic Name: 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenoxy]butanoic acid Openeye Name: 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[2,3-dimethoxy-6-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenoxy]butanoic acid IUPAC Name: 4-[6-[(4-benzylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[6-[(4-benzylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCCCC(=O)O)OC

InChI

InChI=1S/C24H32N2O5/c1-29-21-11-10-20(23(24(21)30-2)31-16-6-9-22(27)28)18-26-14-12-25(13-15-26)17-19-7-4-3-5-8-19/h3-5,7-8,10-11H,6,9,12-18H2,1-2H3,(H,27,28)