1-(2-ethylhexyl)-3-[2-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea

Systemtic Name: 1-(2-ethylhexyl)-3-[2-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea Openeye Name: 1-(2-ethylhexyl)-3-[2-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea CAS Name: 1-(2-ethylhexyl)-3-[2-methyl-3-[[oxo-(4-phenylbutylamino)methyl]amino]phenyl]urea IUPAC Name: 1-(2-ethylhexyl)-3-[2-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea Traditional Name: 1-(2-ethylhexyl)-3-[2-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)NC1=CC=CC(=C1C)NC(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CNC(=O)NC1=CC=CC(=C1C)NC(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H40N4O2/c1-4-6-13-22(5-2)20-29-27(33)31-25-18-12-17-24(21(25)3)30-26(32)28-19-11-10-16-23-14-8-7-9-15-23/h7-9,12,14-15,17-18,22H,4-6,10-11,13,16,19-20H2,1-3H3,(H2,28,30,32)(H2,29,31,33)