6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexyl 2-phenylethanoate

Systemtic Name: 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexyl 2-phenylethanoate Openeye Name: 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl 2-phenylacetate CAS Name: 2-phenylacetic acid 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl ester IUPAC Name: 6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl 2-phenylacetate Traditional Name: 2-phenylacetic acid 6-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]hexyl ester Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O

InChI

InChI=1S/C23H31NO5/c25-17-20-15-19(10-11-21(20)26)22(27)16-24-12-6-1-2-7-13-29-23(28)14-18-8-4-3-5-9-18/h3-5,8-11,15,22,24-27H,1-2,6-7,12-14,16-17H2