N-[3-(2-chloranyl-3-oxidanylidene-3-phenylazanyl-propanoyl)phenyl]-2-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[3-(2-chloranyl-3-oxidanylidene-3-phenylazanyl-propanoyl)phenyl]-2-(3-pentadecylphenoxy)butanamide Openeye Name: N-[3-(3-anilino-2-chloro-3-oxo-propanoyl)phenyl]-2-(3-pentadecylphenoxy)butanamide CAS Name: N-[3-(3-anilino-2-chloro-1,3-dioxopropyl)phenyl]-2-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[3-(3-anilino-2-chloro-3-oxopropanoyl)phenyl]-2-(3-pentadecylphenoxy)butanamide Traditional Name: N-[3-(3-anilino-2-chloro-3-keto-propanoyl)phenyl]-2-(3-pentadecylphenoxy)butyramide Formula: C40H53ClN2O4 MolecularWeight: 661.31282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=CC(=C2)C(=O)C(C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)C(=O)NC2=CC=CC(=C2)C(=O)C(C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C40H53ClN2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-22-31-23-20-28-35(29-31)47-36(4-2)39(45)43-34-27-21-24-32(30-34)38(44)37(41)40(46)42-33-25-18-16-19-26-33/h16,18-21,23-30,36-37H,3-15,17,22H2,1-2H3,(H,42,46)(H,43,45)