2-naphthalen-1-ylethyl 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexanoate

Systemtic Name: 2-naphthalen-1-ylethyl 6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexanoate Openeye Name: 2-(1-naphthyl)ethyl 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 2-(1-naphthalenyl)ethyl ester IUPAC Name: 2-naphthalen-1-ylethyl 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 2-(1-naphthyl)ethyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCOC(=O)CCCCCNCC(C3=CC(=C(C=C3)O)CO)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCOC(=O)CCCCCNCC(C3=CC(=C(C=C3)O)CO)O

InChI

InChI=1S/C27H33NO5/c29-19-23-17-22(12-13-25(23)30)26(31)18-28-15-5-1-2-11-27(32)33-16-14-21-9-6-8-20-7-3-4-10-24(20)21/h3-4,6-10,12-13,17,26,28-31H,1-2,5,11,14-16,18-19H2