8-[[4-(4-butoxyphenoxy)-3-oxidanyl-butyl]amino]-9-(oxan-2-yloxy)nonanoic acid

Systemtic Name: 8-[[4-(4-butoxyphenoxy)-3-oxidanyl-butyl]amino]-9-(oxan-2-yloxy)nonanoic acid Openeye Name: 8-[[4-(4-butoxyphenoxy)-3-hydroxy-butyl]amino]-9-tetrahydropyran-2-yloxy-nonanoic acid CAS Name: 8-[[4-(4-butoxyphenoxy)-3-hydroxybutyl]amino]-9-(2-oxanyloxy)nonanoic acid IUPAC Name: 8-[[4-(4-butoxyphenoxy)-3-hydroxybutyl]amino]-9-(oxan-2-yloxy)nonanoic acid Traditional Name: 8-[[4-(4-butoxyphenoxy)-3-hydroxy-butyl]amino]-9-tetrahydropyran-2-yloxy-pelargonic acid Formula: C28H47NO7 MolecularWeight: 509.67528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

InChI

InChI=1S/C28H47NO7/c1-2-3-19-33-25-13-15-26(16-14-25)35-22-24(30)17-18-29-23(10-6-4-5-7-11-27(31)32)21-36-28-12-8-9-20-34-28/h13-16,23-24,28-30H,2-12,17-22H2,1H3,(H,31,32)