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

Systemtic Name: 1-[(4-butoxyphenyl)methyl]-3-(4-chloranyl-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea Openeye Name: 1-[(4-butoxyphenyl)methyl]-3-(4-chloro-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea CAS Name: 1-[(4-butoxyphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(3,3-dimethylbutyl)urea IUPAC Name: 1-[(4-butoxyphenyl)methyl]-3-(4-chloro-2-methylphenyl)-1-(3,3-dimethylbutyl)urea Traditional Name: 1-(4-butoxybenzyl)-3-(4-chloro-2-methyl-phenyl)-1-(3,3-dimethylbutyl)urea Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN(CCC(C)(C)C)C(=O)NC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN(CCC(C)(C)C)C(=O)NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C25H35ClN2O2/c1-6-7-16-30-22-11-8-20(9-12-22)18-28(15-14-25(3,4)5)24(29)27-23-13-10-21(26)17-19(23)2/h8-13,17H,6-7,14-16,18H2,1-5H3,(H,27,29)