4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)benzoic acid

Systemtic Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)benzoic acid Openeye Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)benzoic acid CAS Name: 4-[(4-bromophenyl)methoxy]-3-[1-(1-imidazolyl)butyl]benzoic acid IUPAC Name: 4-[(4-bromophenyl)methoxy]-3-(1-imidazol-1-ylbutyl)benzoic acid Traditional Name: 4-(4-bromobenzyl)oxy-3-(1-imidazol-1-ylbutyl)benzoic acid Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-2-3-19(24-11-10-23-14-24)18-12-16(21(25)26)6-9-20(18)27-13-15-4-7-17(22)8-5-15/h4-12,14,19H,2-3,13H2,1H3,(H,25,26)