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

Systemtic Name: 1-[(4-butylphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(3,3-dimethylbutyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(3,3-dimethylbutyl)urea Traditional Name: 1-(4-butylbenzyl)-3-(4-chloro-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea Formula: C25H35ClN2O MolecularWeight: 415.0112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN2O/c1-6-7-8-20-9-11-21(12-10-20)18-28(16-15-25(3,4)5)24(29)27-23-14-13-22(26)17-19(23)2/h9-14,17H,6-8,15-16,18H2,1-5H3,(H,27,29)