5-[2-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal

Systemtic Name: 5-[2-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal Openeye Name: 5-[2-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal CAS Name: 5-[2-[(4-bromophenyl)methoxy]-3-[1-(1-imidazolyl)butyl]phenyl]hexanal IUPAC Name: 5-[2-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal Traditional Name: 5-[2-(4-bromobenzyl)oxy-3-(1-imidazol-1-ylbutyl)phenyl]hexanal Formula: C26H31BrN2O2 MolecularWeight: 483.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C(C)CCCC=O)N3C=CN=C3

Isomeric SMILES

CCCC(C1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C(C)CCCC=O)N3C=CN=C3

InChI

InChI=1S/C26H31BrN2O2/c1-3-7-25(29-16-15-28-19-29)24-10-6-9-23(20(2)8-4-5-17-30)26(24)31-18-21-11-13-22(27)14-12-21/h6,9-17,19-20,25H,3-5,7-8,18H2,1-2H3