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

Systemtic Name: 8-[[4-(4-methylphenoxy)-3-oxidanyl-butyl]amino]-9-(oxan-2-yloxy)nonanoic acid Openeye Name: 8-[[3-hydroxy-4-(4-methylphenoxy)butyl]amino]-9-tetrahydropyran-2-yloxy-nonanoic acid CAS Name: 8-[[3-hydroxy-4-(4-methylphenoxy)butyl]amino]-9-(2-oxanyloxy)nonanoic acid IUPAC Name: 8-[[3-hydroxy-4-(4-methylphenoxy)butyl]amino]-9-(oxan-2-yloxy)nonanoic acid Traditional Name: 8-[[3-hydroxy-4-(4-methylphenoxy)butyl]amino]-9-tetrahydropyran-2-yloxy-pelargonic acid Formula: C25H41NO6 MolecularWeight: 451.59614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CCNC(CCCCCCC(=O)O)COC2CCCCO2)O

InChI

InChI=1S/C25H41NO6/c1-20-11-13-23(14-12-20)31-19-22(27)15-16-26-21(8-4-2-3-5-9-24(28)29)18-32-25-10-6-7-17-30-25/h11-14,21-22,25-27H,2-10,15-19H2,1H3,(H,28,29)