N-[5-(2-cyanoethanoyl)-2-methoxy-phenyl]-4-(3-pentadecylphenoxy)butanamide

Systemtic Name: N-[5-(2-cyanoethanoyl)-2-methoxy-phenyl]-4-(3-pentadecylphenoxy)butanamide Openeye Name: N-[5-(2-cyanoacetyl)-2-methoxy-phenyl]-4-(3-pentadecylphenoxy)butanamide CAS Name: N-[5-(2-cyano-1-oxoethyl)-2-methoxyphenyl]-4-(3-pentadecylphenoxy)butanamide IUPAC Name: N-[5-(2-cyanoacetyl)-2-methoxyphenyl]-4-(3-pentadecylphenoxy)butanamide Traditional Name: N-[5-(2-cyanoacetyl)-2-methoxy-phenyl]-4-(3-pentadecylphenoxy)butyramide Formula: C35H50N2O4 MolecularWeight: 562.7825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-19-16-20-31(27-29)41-26-17-21-35(39)37-32-28-30(33(38)24-25-36)22-23-34(32)40-2/h16,19-20,22-23,27-28H,3-15,17-18,21,24,26H2,1-2H3,(H,37,39)