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

Systemtic Name: 5-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal Openeye Name: 5-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal CAS Name: 5-[4-[(4-bromophenyl)methoxy]-3-[1-(1-imidazolyl)butyl]phenyl]hexanal IUPAC Name: 5-[4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)phenyl]hexanal Traditional Name: 5-[4-(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=C(C=CC(=C1)C(C)CCCC=O)OCC2=CC=C(C=C2)Br)N3C=CN=C3

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)C(C)CCCC=O)OCC2=CC=C(C=C2)Br)N3C=CN=C3

InChI

InChI=1S/C26H31BrN2O2/c1-3-6-25(29-15-14-28-19-29)24-17-22(20(2)7-4-5-16-30)10-13-26(24)31-18-21-8-11-23(27)12-9-21/h8-17,19-20,25H,3-7,18H2,1-2H3