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

Systemtic Name: 8-[[4-(4-butylphenoxy)-3-oxidanyl-butyl]amino]-9-(oxan-2-yloxy)nonanoic acid Openeye Name: 8-[[4-(4-butylphenoxy)-3-hydroxy-butyl]amino]-9-tetrahydropyran-2-yloxy-nonanoic acid CAS Name: 8-[[4-(4-butylphenoxy)-3-hydroxybutyl]amino]-9-(2-oxanyloxy)nonanoic acid IUPAC Name: 8-[[4-(4-butylphenoxy)-3-hydroxybutyl]amino]-9-(oxan-2-yloxy)nonanoic acid Traditional Name: 8-[[4-(4-butylphenoxy)-3-hydroxy-butyl]amino]-9-tetrahydropyran-2-yloxy-pelargonic acid Formula: C28H47NO6 MolecularWeight: 493.67588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

InChI

InChI=1S/C28H47NO6/c1-2-3-10-23-14-16-26(17-15-23)34-22-25(30)18-19-29-24(11-6-4-5-7-12-27(31)32)21-35-28-13-8-9-20-33-28/h14-17,24-25,28-30H,2-13,18-22H2,1H3,(H,31,32)