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

Systemtic Name: 2-[4-(2-hydroxyphenyl)carbonyl-3-oxidanyl-2-propyl-phenoxy]ethanenitrile Openeye Name: 2-[3-hydroxy-4-(2-hydroxybenzoyl)-2-propyl-phenoxy]acetonitrile CAS Name: 2-[3-hydroxy-4-[(2-hydroxyphenyl)-oxomethyl]-2-propylphenoxy]acetonitrile IUPAC Name: 2-[3-hydroxy-4-(2-hydroxybenzoyl)-2-propylphenoxy]acetonitrile Traditional Name: 2-(3-hydroxy-2-propyl-4-salicyloyl-phenoxy)acetonitrile Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-2-5-13-16(23-11-10-19)9-8-14(18(13)22)17(21)12-6-3-4-7-15(12)20/h3-4,6-9,20,22H,2,5,11H2,1H3