N-(3-azanyl-4-chloranyl-phenyl)-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-(3-azanyl-4-chloranyl-phenyl)-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-(3-amino-4-chloro-phenyl)-2-(3-pentadecylphenoxy)butanamide CAS Name: N-(3-amino-4-chlorophenyl)-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-(3-amino-4-chlorophenyl)-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-(3-amino-4-chloro-phenyl)-2-(3-pentadecylphenoxy)butyramide Formula: C31H47ClN2O2 MolecularWeight: 515.17008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C31H47ClN2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-27(23-25)36-30(4-2)31(35)34-26-21-22-28(32)29(33)24-26/h17,19-24,30H,3-16,18,33H2,1-2H3,(H,34,35)