N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-(2,4-dipentylphenoxy)hexanamide

Systemtic Name: N-[2-chloranyl-4-[(4-cyanophenyl)carbamoylamino]-5-oxidanyl-phenyl]-2-(2,4-dipentylphenoxy)hexanamide Openeye Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxy-phenyl]-2-(2,4-dipentylphenoxy)hexanamide CAS Name: N-[2-chloro-4-[[(4-cyanoanilino)-oxomethyl]amino]-5-hydroxyphenyl]-2-(2,4-dipentylphenoxy)hexanamide IUPAC Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-hydroxyphenyl]-2-(2,4-dipentylphenoxy)hexanamide Traditional Name: N-[2-chloro-4-[(4-cyanophenyl)carbamoylamino]-5-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=C2Cl)NC(=O)NC3=CC=C(C=C3)C#N)O)CCCCC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(CCCC)C(=O)NC2=CC(=C(C=C2Cl)NC(=O)NC3=CC=C(C=C3)C#N)O)CCCCC

InChI

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