4-[4-[[3,4-dimethoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]methyl]piperazin-1-yl]butanoic acid

Systemtic Name: 4-[4-[[3,4-dimethoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]methyl]piperazin-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(4-hydroxy-4-oxo-butoxy)-3,4-dimethoxy-phenyl]methyl]piperazin-1-yl]butanoic acid CAS Name: 4-[4-[[2-(4-hydroxy-4-oxobutoxy)-3,4-dimethoxyphenyl]methyl]-1-piperazinyl]butanoic acid IUPAC Name: 4-[4-[[2-(4-hydroxy-4-oxobutoxy)-3,4-dimethoxyphenyl]methyl]piperazin-1-yl]butanoic acid Traditional Name: 4-[4-[2-(4-hydroxy-4-keto-butoxy)-3,4-dimethoxy-benzyl]piperazino]butyric acid Formula: C21H32N2O7 MolecularWeight: 424.48798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O7/c1-28-17-8-7-16(20(21(17)29-2)30-14-4-6-19(26)27)15-23-12-10-22(11-13-23)9-3-5-18(24)25/h7-8H,3-6,9-15H2,1-2H3,(H,24,25)(H,26,27)