1-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)-3-icosyl-urea

Systemtic Name: 1-(3-chloranyl-5-methyl-4-oxidanyl-phenyl)-3-icosyl-urea Openeye Name: 1-(3-chloro-4-hydroxy-5-methyl-phenyl)-3-icosyl-urea CAS Name: 1-(3-chloro-4-hydroxy-5-methylphenyl)-3-eicosylurea IUPAC Name: 1-(3-chloro-4-hydroxy-5-methylphenyl)-3-icosylurea Traditional Name: 1-arachyl-3-(3-chloro-4-hydroxy-5-methyl-phenyl)urea Formula: C28H49ClN2O2 MolecularWeight: 481.15386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C(=C1)C)O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C(=C1)C)O)Cl

InChI

InChI=1S/C28H49ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-28(33)31-25-22-24(2)27(32)26(29)23-25/h22-23,32H,3-21H2,1-2H3,(H2,30,31,33)