1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-9-enyl]urea

Systemtic Name: 1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-9-enyl]urea Openeye Name: 1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl]-1-[(E)-octadec-9-enyl]urea CAS Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-1-[(E)-octadec-9-enyl]urea IUPAC Name: 1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl]-1-[(E)-octadec-9-enyl]urea Traditional Name: 1-[4-(2-aminoethoxy)-3-methoxy-benzyl]-1-[(E)-octadec-9-enyl]urea Formula: C29H51N3O3 MolecularWeight: 489.73354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=O)N

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CC1=CC(=C(C=C1)OCCN)OC)C(=O)N

InChI

InChI=1S/C29H51N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32(29(31)33)25-26-19-20-27(35-23-21-30)28(24-26)34-2/h10-11,19-20,24H,3-9,12-18,21-23,25,30H2,1-2H3,(H2,31,33)/b11-10+