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

Systemtic Name: 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[6-[(4-cyclohexyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[6-[(4-cyclohexylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[6-[(4-cyclohexylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid Formula: C23H36N2O5 MolecularWeight: 420.54234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCCCC3)OCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3CCCCC3)OCCCC(=O)O)OC

InChI

InChI=1S/C23H36N2O5/c1-28-20-11-10-18(22(23(20)29-2)30-16-6-9-21(26)27)17-24-12-14-25(15-13-24)19-7-4-3-5-8-19/h10-11,19H,3-9,12-17H2,1-2H3,(H,26,27)