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

Systemtic Name: 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoic acid Openeye Name: 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxy-phenoxy]butanoic acid CAS Name: 4-[6-[(4-heptyl-1-piperazinyl)methyl]-2,3-dimethoxyphenoxy]butanoic acid IUPAC Name: 4-[6-[(4-heptylpiperazin-1-yl)methyl]-2,3-dimethoxyphenoxy]butanoic acid Traditional Name: 4-[6-[(4-heptylpiperazino)methyl]-2,3-dimethoxy-phenoxy]butyric acid Formula: C24H40N2O5 MolecularWeight: 436.5848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)O

Isomeric SMILES

CCCCCCCN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)O

InChI

InChI=1S/C24H40N2O5/c1-4-5-6-7-8-13-25-14-16-26(17-15-25)19-20-11-12-21(29-2)24(30-3)23(20)31-18-9-10-22(27)28/h11-12H,4-10,13-19H2,1-3H3,(H,27,28)