2-[4-[[4-chloranyl-5-(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]-5-phenyl-cyclohexene-1-carboxylic acid

Systemtic Name: 2-[4-[[4-chloranyl-5-(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]-5-phenyl-cyclohexene-1-carboxylic acid Openeye Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]-5-phenyl-cyclohexene-1-carboxylic acid CAS Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-propyl-1-imidazolyl]methyl]phenyl]-5-phenyl-1-cyclohexenecarboxylic acid IUPAC Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]-5-phenylcyclohexene-1-carboxylic acid Traditional Name: 2-[4-[(4-chloro-5-methylol-2-propyl-imidazol-1-yl)methyl]phenyl]-5-phenyl-cyclohexene-1-carboxylic acid Formula: C27H29ClN2O3 MolecularWeight: 464.98376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(CC(CC3)C4=CC=CC=C4)C(=O)O)CO)Cl

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(CC(CC3)C4=CC=CC=C4)C(=O)O)CO)Cl

InChI

InChI=1S/C27H29ClN2O3/c1-2-6-25-29-26(28)24(17-31)30(25)16-18-9-11-20(12-10-18)22-14-13-21(15-23(22)27(32)33)19-7-4-3-5-8-19/h3-5,7-12,21,31H,2,6,13-17H2,1H3,(H,32,33)