1-(2-chloroethyl)-3-(4-octylphenyl)urea

Systemtic Name: 1-(2-chloroethyl)-3-(4-octylphenyl)urea Openeye Name: 1-(2-chloroethyl)-3-(4-octylphenyl)urea CAS Name: 1-(2-chloroethyl)-3-(4-octylphenyl)urea IUPAC Name: 1-(2-chloroethyl)-3-(4-octylphenyl)urea Traditional Name: 1-(2-chloroethyl)-3-(4-octylphenyl)urea Formula: C17H27ClN2O MolecularWeight: 310.86208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)NCCCl

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)NCCCl

InChI

InChI=1S/C17H27ClN2O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)20-17(21)19-14-13-18/h9-12H,2-8,13-14H2,1H3,(H2,19,20,21)