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

Systemtic Name: 3-(3-tert-butyl-5-methoxy-2-oxidanyl-phenyl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea Openeye Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea CAS Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea IUPAC Name: 3-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea Traditional Name: 3-(3-tert-butyl-2-hydroxy-5-methoxy-phenyl)-1-cycloheptyl-1-(4-dimethylaminophenyl)urea Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)OC

InChI

InChI=1S/C27H39N3O3/c1-27(2,3)23-17-22(33-6)18-24(25(23)31)28-26(32)30(20-11-9-7-8-10-12-20)21-15-13-19(14-16-21)29(4)5/h13-18,20,31H,7-12H2,1-6H3,(H,28,32)