1-[(4-butylphenyl)methyl]-1-(6-chloranylhexyl)-3-(2,4,5-trimethylphenyl)urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-1-(6-chloranylhexyl)-3-(2,4,5-trimethylphenyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-1-(6-chlorohexyl)-3-(2,4,5-trimethylphenyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-1-(6-chlorohexyl)-3-(2,4,5-trimethylphenyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-1-(6-chlorohexyl)-3-(2,4,5-trimethylphenyl)urea Traditional Name: 1-(4-butylbenzyl)-1-(6-chlorohexyl)-3-(2,4,5-trimethylphenyl)urea Formula: C27H39ClN2O MolecularWeight: 443.06436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCCl)C(=O)NC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCCl)C(=O)NC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C27H39ClN2O/c1-5-6-11-24-12-14-25(15-13-24)20-30(17-10-8-7-9-16-28)27(31)29-26-19-22(3)21(2)18-23(26)4/h12-15,18-19H,5-11,16-17,20H2,1-4H3,(H,29,31)