1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(5,5-dimethylhexyl)urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(5,5-dimethylhexyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methyl-phenyl)-1-(5,5-dimethylhexyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(5,5-dimethylhexyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(5,5-dimethylhexyl)urea Traditional Name: 1-(4-butylbenzyl)-3-(4-chloro-2-methyl-phenyl)-1-(5,5-dimethylhexyl)urea Formula: C27H39ClN2O MolecularWeight: 443.06436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O/c1-6-7-10-22-11-13-23(14-12-22)20-30(18-9-8-17-27(3,4)5)26(31)29-25-16-15-24(28)19-21(25)2/h11-16,19H,6-10,17-18,20H2,1-5H3,(H,29,31)