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

Systemtic Name: 1-(2-ethylhexyl)-3-[4-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea Openeye Name: 1-(2-ethylhexyl)-3-[4-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea CAS Name: 1-(2-ethylhexyl)-3-[4-methyl-3-[[oxo-(4-phenylbutylamino)methyl]amino]phenyl]urea IUPAC Name: 1-(2-ethylhexyl)-3-[4-methyl-3-(4-phenylbutylcarbamoylamino)phenyl]urea Traditional Name: 1-(2-ethylhexyl)-3-[4-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(=C(C=C1)C)NC(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)CNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCCCCC2=CC=CC=C2

InChI

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