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

Systemtic Name: phenethyl 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO5/c25-17-20-15-19(10-11-21(20)26)22(27)16-24-13-6-2-5-9-23(28)29-14-12-18-7-3-1-4-8-18/h1,3-4,7-8,10-11,15,22,24-27H,2,5-6,9,12-14,16-17H2