1-(2-ethylhexyl)-3-[2-methyl-5-(4-phenylbutylcarbamoylamino)phenyl]urea

Systemtic Name: 1-(2-ethylhexyl)-3-[2-methyl-5-(4-phenylbutylcarbamoylamino)phenyl]urea Openeye Name: 1-(2-ethylhexyl)-3-[2-methyl-5-(4-phenylbutylcarbamoylamino)phenyl]urea CAS Name: 1-(2-ethylhexyl)-3-[2-methyl-5-[[oxo-(4-phenylbutylamino)methyl]amino]phenyl]urea IUPAC Name: 1-(2-ethylhexyl)-3-[2-methyl-5-(4-phenylbutylcarbamoylamino)phenyl]urea Traditional Name: 1-(2-ethylhexyl)-3-[2-methyl-5-(4-phenylbutylcarbamoylamino)phenyl]urea Formula: C27H40N4O2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O2/c1-4-6-12-22(5-2)20-29-27(33)31-25-19-24(17-16-21(25)3)30-26(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,(H2,28,30,32)(H2,29,31,33)