5-[2-[(E)-but-1-enyl]-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]-2-phenyl-benzoic acid

Systemtic Name: 5-[2-[(E)-but-1-enyl]-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]-2-phenyl-benzoic acid Openeye Name: 5-[2-[(E)-but-1-enyl]-5-chloro-4-(hydroxymethyl)imidazol-1-yl]-2-phenyl-benzoic acid CAS Name: 5-[2-[(E)-but-1-enyl]-5-chloro-4-(hydroxymethyl)-1-imidazolyl]-2-phenylbenzoic acid IUPAC Name: 5-[2-[(E)-but-1-enyl]-5-chloro-4-(hydroxymethyl)imidazol-1-yl]-2-phenylbenzoic acid Traditional Name: 5-[2-[(E)-but-1-enyl]-5-chloro-4-methylol-imidazol-1-yl]-2-phenyl-benzoic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=NC(=C(N1C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)Cl)CO

Isomeric SMILES

CC/C=C/C1=NC(=C(N1C2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)O)Cl)CO

InChI

InChI=1S/C21H19ClN2O3/c1-2-3-9-19-23-18(13-25)20(22)24(19)15-10-11-16(17(12-15)21(26)27)14-7-5-4-6-8-14/h3-12,25H,2,13H2,1H3,(H,26,27)/b9-3+