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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CNC(=O)NCC1=CC(=C(C=C1)OCCN)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/NC(=O)NCC1=CC(=C(C=C1)OCCN)OC

InChI

InChI=1S/C29H51N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-29(33)32-25-26-19-20-27(35-23-21-30)28(24-26)34-2/h18-20,22,24H,3-17,21,23,25,30H2,1-2H3,(H2,31,32,33)/b22-18+