1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea

Systemtic Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea Openeye Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea CAS Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea IUPAC Name: 1-[(4-butylphenyl)methyl]-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea Traditional Name: 1-(4-butylbenzyl)-1-(6-cyanohexyl)-3-(2,4,5-trimethylphenyl)urea Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C(=C2)C)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CCCCCCC#N)C(=O)NC2=C(C=C(C(=C2)C)C)C

InChI

InChI=1S/C28H39N3O/c1-5-6-12-25-13-15-26(16-14-25)21-31(18-11-9-7-8-10-17-29)28(32)30-27-20-23(3)22(2)19-24(27)4/h13-16,19-20H,5-12,18,21H2,1-4H3,(H,30,32)