1,3-bis[2-(2-bromanyl-3,4-dimethoxy-phenyl)ethyl]urea

Systemtic Name: 1,3-bis[2-(2-bromanyl-3,4-dimethoxy-phenyl)ethyl]urea Openeye Name: 1,3-bis[2-(2-bromo-3,4-dimethoxy-phenyl)ethyl]urea CAS Name: 1,3-bis[2-(2-bromo-3,4-dimethoxyphenyl)ethyl]urea IUPAC Name: 1,3-bis[2-(2-bromo-3,4-dimethoxyphenyl)ethyl]urea Traditional Name: 1,3-bis[2-(2-bromo-3,4-dimethoxy-phenyl)ethyl]urea Formula: C21H26Br2N2O5 MolecularWeight: 546.24954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CCNC(=O)NCCC2=C(C(=C(C=C2)OC)OC)Br)Br)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CCNC(=O)NCCC2=C(C(=C(C=C2)OC)OC)Br)Br)OC

InChI

InChI=1S/C21H26Br2N2O5/c1-27-15-7-5-13(17(22)19(15)29-3)9-11-24-21(26)25-12-10-14-6-8-16(28-2)20(30-4)18(14)23/h5-8H,9-12H2,1-4H3,(H2,24,25,26)