3-(3-chloranyl-4-methyl-phenyl)-1-octadecyl-1-(phenylmethyl)urea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-octadecyl-1-(phenylmethyl)urea Openeye Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-octadecyl-urea CAS Name: 3-(3-chloro-4-methylphenyl)-1-octadecyl-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-(3-chloro-4-methylphenyl)-1-octadecylurea Traditional Name: 1-benzyl-3-(3-chloro-4-methyl-phenyl)-1-stearyl-urea Formula: C33H51ClN2O MolecularWeight: 527.22384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C33H51ClN2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36(28-30-22-19-18-20-23-30)33(37)35-31-25-24-29(2)32(34)27-31/h18-20,22-25,27H,3-17,21,26,28H2,1-2H3,(H,35,37)