4-phenylbutyl 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexanoate

Systemtic Name: 4-phenylbutyl 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexanoate Openeye Name: 4-phenylbutyl 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexanoate CAS Name: 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexanoic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexanoate Traditional Name: 6-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]hexanoic acid 4-phenylbutyl ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)CCCCCNCC(C2=CC(=C(C=C2)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)CCCCCNCC(C2=CC(=C(C=C2)O)CO)O

InChI

InChI=1S/C25H35NO5/c27-19-22-17-21(13-14-23(22)28)24(29)18-26-15-7-2-5-12-25(30)31-16-8-6-11-20-9-3-1-4-10-20/h1,3-4,9-10,13-14,17,24,26-29H,2,5-8,11-12,15-16,18-19H2