N-[2-chloranyl-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[2-chloranyl-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: N-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxo-pentanamide CAS Name: N-[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide Traditional Name: N-[2-chloro-5-[2-(3-pentadecylphenoxy)butanoylamino]phenyl]-3-keto-4,4-dimethyl-valeramide Formula: C38H57ClN2O4 MolecularWeight: 641.32318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57ClN2O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-29-22-20-23-31(26-29)45-34(7-2)37(44)40-30-24-25-32(39)33(27-30)41-36(43)28-35(42)38(3,4)5/h20,22-27,34H,6-19,21,28H2,1-5H3,(H,40,44)(H,41,43)