3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride

Systemtic Name: 3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-(2-cyclohexylethyl)-1-(4-dimethylaminophenyl)urea hydrochloride Formula: C28H42ClN3O3 MolecularWeight: 504.10438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CCC2CCCCC2)C3=CC=C(C=C3)N(C)C)OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(CCC2CCCCC2)C3=CC=C(C=C3)N(C)C)OC.Cl

InChI

InChI=1S/C28H41N3O3.ClH/c1-28(2,3)24-18-23(34-6)19-25(26(24)32)29-27(33)31(17-16-20-10-8-7-9-11-20)22-14-12-21(13-15-22)30(4)5;/h12-15,18-20,32H,7-11,16-17H2,1-6H3,(H,29,33);1H