5-[4-(2-hydroxyphenyl)carbonyl-3-oxidanyl-2-propyl-phenoxy]pentanenitrile

Systemtic Name: 5-[4-(2-hydroxyphenyl)carbonyl-3-oxidanyl-2-propyl-phenoxy]pentanenitrile Openeye Name: 5-[3-hydroxy-4-(2-hydroxybenzoyl)-2-propyl-phenoxy]pentanenitrile CAS Name: 5-[3-hydroxy-4-[(2-hydroxyphenyl)-oxomethyl]-2-propylphenoxy]pentanenitrile IUPAC Name: 5-[3-hydroxy-4-(2-hydroxybenzoyl)-2-propylphenoxy]pentanenitrile Traditional Name: 5-(3-hydroxy-2-propyl-4-salicyloyl-phenoxy)valeronitrile Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C2=CC=CC=C2O)OCCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C2=CC=CC=C2O)OCCCCC#N

InChI

InChI=1S/C21H23NO4/c1-2-8-16-19(26-14-7-3-6-13-22)12-11-17(21(16)25)20(24)15-9-4-5-10-18(15)23/h4-5,9-12,23,25H,2-3,6-8,14H2,1H3