3-[4-(2,2-dimethylpropyl)phenyl]-1-(2-ethylphenyl)-1-heptyl-urea

Systemtic Name: 3-[4-(2,2-dimethylpropyl)phenyl]-1-(2-ethylphenyl)-1-heptyl-urea Openeye Name: 3-[4-(2,2-dimethylpropyl)phenyl]-1-(2-ethylphenyl)-1-heptyl-urea CAS Name: 3-[4-(2,2-dimethylpropyl)phenyl]-1-(2-ethylphenyl)-1-heptylurea IUPAC Name: 3-[4-(2,2-dimethylpropyl)phenyl]-1-(2-ethylphenyl)-1-heptylurea Traditional Name: 1-(2-ethylphenyl)-1-heptyl-3-(4-neopentylphenyl)urea Formula: C27H40N2O MolecularWeight: 408.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=CC=C1CC)C(=O)NC2=CC=C(C=C2)CC(C)(C)C

Isomeric SMILES

CCCCCCCN(C1=CC=CC=C1CC)C(=O)NC2=CC=C(C=C2)CC(C)(C)C

InChI

InChI=1S/C27H40N2O/c1-6-8-9-10-13-20-29(25-15-12-11-14-23(25)7-2)26(30)28-24-18-16-22(17-19-24)21-27(3,4)5/h11-12,14-19H,6-10,13,20-21H2,1-5H3,(H,28,30)