6-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Systemtic Name: 6-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid Openeye Name: 6-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]tetralin-2-carboxylic acid CAS Name: 6-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid IUPAC Name: 6-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid Traditional Name: 6-[(2-butyl-5-chloro-4-methylol-imidazol-1-yl)methyl]tetralin-2-carboxylic acid Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(CC(CC3)C(=O)O)C=C2)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(CC(CC3)C(=O)O)C=C2)Cl)CO

InChI

InChI=1S/C20H25ClN2O3/c1-2-3-4-18-22-17(12-24)19(21)23(18)11-13-5-6-15-10-16(20(25)26)8-7-14(15)9-13/h5-6,9,16,24H,2-4,7-8,10-12H2,1H3,(H,25,26)