5-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]pentyl 3-naphthalen-1-ylpropanoate

Systemtic Name: 5-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]pentyl 3-naphthalen-1-ylpropanoate Openeye Name: 5-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]pentyl 3-(1-naphthyl)propanoate CAS Name: 3-(1-naphthalenyl)propanoic acid 5-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]pentyl ester IUPAC Name: 5-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]pentyl 3-naphthalen-1-ylpropanoate Traditional Name: 3-(1-naphthyl)propionic acid 5-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]pentyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CCC(=O)OCCCCCNCC(C3=CC(=C(C=C3)O)CO)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CCC(=O)OCCCCCNCC(C3=CC(=C(C=C3)O)CO)O

InChI

InChI=1S/C27H33NO5/c29-19-23-17-22(11-13-25(23)30)26(31)18-28-15-4-1-5-16-33-27(32)14-12-21-9-6-8-20-7-2-3-10-24(20)21/h2-3,6-11,13,17,26,28-31H,1,4-5,12,14-16,18-19H2