1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(6-oxidanylhexyl)urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(6-oxidanylhexyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methyl-phenyl)-1-(6-hydroxyhexyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(6-hydroxyhexyl)urea Traditional Name: 1-(4-butylbenzyl)-3-(4-chloro-2-methyl-phenyl)-1-(6-hydroxyhexyl)urea Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCO)C(=O)NC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCO)C(=O)NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C25H35ClN2O2/c1-3-4-9-21-10-12-22(13-11-21)19-28(16-7-5-6-8-17-29)25(30)27-24-15-14-23(26)18-20(24)2/h10-15,18,29H,3-9,16-17,19H2,1-2H3,(H,27,30)