4-azanylbutyl 4-oxidanyl-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylate

Systemtic Name: 4-azanylbutyl 4-oxidanyl-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylate Openeye Name: 4-aminobutyl 4-hydroxy-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylate CAS Name: 4-hydroxy-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylic acid 4-aminobutyl ester IUPAC Name: 4-aminobutyl 4-hydroxy-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylate Traditional Name: 4-hydroxy-4-(6-phenethyloxyhexyl)-6-oxabicyclo[3.1.1]hepta-1(7),2-diene-5-carboxylic acid 4-aminobutyl ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCCCC2(C=CC3=CC2(O3)C(=O)OCCCCN)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCCCC2(C=CC3=CC2(O3)C(=O)OCCCCN)O

InChI

InChI=1S/C25H35NO5/c26-16-7-9-18-30-23(27)25-20-22(31-25)12-15-24(25,28)14-6-1-2-8-17-29-19-13-21-10-4-3-5-11-21/h3-5,10-12,15,20,28H,1-2,6-9,13-14,16-19,26H2