2-[4-[(2-butyl-3-chloranyl-5-methyl-2H-imidazol-1-yl)methyl]phenyl]furan-3-carboxylic acid

Systemtic Name: 2-[4-[(2-butyl-3-chloranyl-5-methyl-2H-imidazol-1-yl)methyl]phenyl]furan-3-carboxylic acid Openeye Name: 2-[4-[(2-butyl-3-chloro-5-methyl-2H-imidazol-1-yl)methyl]phenyl]furan-3-carboxylic acid CAS Name: 2-[4-[(2-butyl-3-chloro-5-methyl-2H-imidazol-1-yl)methyl]phenyl]-3-furancarboxylic acid IUPAC Name: 2-[4-[(2-butyl-3-chloro-5-methyl-2H-imidazol-1-yl)methyl]phenyl]furan-3-carboxylic acid Traditional Name: 2-[4-[(2-butyl-3-chloro-5-methyl-4-imidazolin-1-yl)methyl]phenyl]-3-furoic acid Formula: C20H23ClN2O3 MolecularWeight: 374.86122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=C(C=CO3)C(=O)O)C)Cl

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C3=C(C=CO3)C(=O)O)C)Cl

InChI

InChI=1S/C20H23ClN2O3/c1-3-4-5-18-22(14(2)12-23(18)21)13-15-6-8-16(9-7-15)19-17(20(24)25)10-11-26-19/h6-12,18H,3-5,13H2,1-2H3,(H,24,25)