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

Systemtic Name: 5-[4-(2-methoxyphenyl)carbonyl-3-oxidanyl-2-propyl-phenoxy]pentanenitrile Openeye Name: 5-[3-hydroxy-4-(2-methoxybenzoyl)-2-propyl-phenoxy]pentanenitrile CAS Name: 5-[3-hydroxy-4-[(2-methoxyphenyl)-oxomethyl]-2-propylphenoxy]pentanenitrile IUPAC Name: 5-[3-hydroxy-4-(2-methoxybenzoyl)-2-propylphenoxy]pentanenitrile Traditional Name: 5-(3-hydroxy-4-o-anisoyl-2-propyl-phenoxy)valeronitrile Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C2=CC=CC=C2OC)OCCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C2=CC=CC=C2OC)OCCCCC#N

InChI

InChI=1S/C22H25NO4/c1-3-9-16-20(27-15-8-4-7-14-23)13-12-18(21(16)24)22(25)17-10-5-6-11-19(17)26-2/h5-6,10-13,24H,3-4,7-9,15H2,1-2H3