2-(3-azanylpropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol

Systemtic Name: 2-(3-azanylpropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol Openeye Name: 2-(3-aminopropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol CAS Name: 2-(3-aminopropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol IUPAC Name: 2-(3-aminopropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol Traditional Name: 2-(3-aminopropyl)-2-[6-(3-phenylpropoxy)hexyl]cyclohexa-3,5-diene-1,1,3-triol Formula: C24H37NO4 MolecularWeight: 403.55488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOCCCCCCC2(C(=CC=CC2(O)O)O)CCCN

Isomeric SMILES

C1=CC=C(C=C1)CCCOCCCCCCC2(C(=CC=CC2(O)O)O)CCCN

InChI

InChI=1S/C24H37NO4/c25-18-10-16-23(22(26)14-8-17-24(23,27)28)15-6-1-2-7-19-29-20-9-13-21-11-4-3-5-12-21/h3-5,8,11-12,14,17,26-28H,1-2,6-7,9-10,13,15-16,18-20,25H2