1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea CAS Name: 1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea Traditional Name: 1-(2,6-dimethylphenyl)-1-[(E)-octadec-9-enyl]urea Formula: C27H46N2O MolecularWeight: 414.66694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(C1=C(C=CC=C1C)C)C(=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C1=C(C=CC=C1C)C)C(=O)N

InChI

InChI=1S/C27H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29(27(28)30)26-24(2)21-20-22-25(26)3/h11-12,20-22H,4-10,13-19,23H2,1-3H3,(H2,28,30)/b12-11+