3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-chloro-benzonitrile CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-chlorobenzonitrile IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-chlorobenzonitrile Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-chloro-benzonitrile Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C21H22ClNO4/c1-3-5-17-19(9-7-16(14(2)24)21(17)25)26-10-4-11-27-20-8-6-15(13-23)12-18(20)22/h6-9,12,25H,3-5,10-11H2,1-2H3