1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenyl-urea

Systemtic Name: 1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenyl-urea Openeye Name: 1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenyl-urea CAS Name: 1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenylurea IUPAC Name: 1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenylurea Traditional Name: 1-[[1,3-benzodioxol-5-yl-[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]-3-heptyl-1-phenyl-urea Formula: C32H45N3O3 MolecularWeight: 519.718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(CN(CC=C(C)CCC=C(C)C)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCNC(=O)N(CN(C/C=C(/C)\CCC=C(C)C)C1=CC2=C(C=C1)OCO2)C3=CC=CC=C3

InChI

InChI=1S/C32H45N3O3/c1-5-6-7-8-12-21-33-32(36)35(28-16-10-9-11-17-28)24-34(22-20-27(4)15-13-14-26(2)3)29-18-19-30-31(23-29)38-25-37-30/h9-11,14,16-20,23H,5-8,12-13,15,21-22,24-25H2,1-4H3,(H,33,36)/b27-20-