N-[4-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-3-oxidanyl-phenyl]-2-(2,4-dipentylphenoxy)hexanamide

Systemtic Name: N-[4-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-3-oxidanyl-phenyl]-2-(2,4-dipentylphenoxy)hexanamide Openeye Name: N-[4-[(3-chloro-4-cyano-phenyl)carbamoylamino]-3-hydroxy-phenyl]-2-(2,4-dipentylphenoxy)hexanamide CAS Name: N-[4-[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]-3-hydroxyphenyl]-2-(2,4-dipentylphenoxy)hexanamide IUPAC Name: N-[4-[(3-chloro-4-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]-2-(2,4-dipentylphenoxy)hexanamide Traditional Name: N-[4-[(3-chloro-4-cyano-phenyl)carbamoylamino]-3-hydroxy-phenyl]-2-(2,4-diamylphenoxy)hexanamide Formula: C36H45ClN4O4 MolecularWeight: 633.2199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(CCCC)C(=O)NC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C#N)Cl)O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(CCCC)C(=O)NC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C#N)Cl)O)CCCCC

InChI

InChI=1S/C36H45ClN4O4/c1-4-7-10-12-25-15-20-33(26(21-25)13-11-8-5-2)45-34(14-9-6-3)35(43)39-29-18-19-31(32(42)23-29)41-36(44)40-28-17-16-27(24-38)30(37)22-28/h15-23,34,42H,4-14H2,1-3H3,(H,39,43)(H2,40,41,44)