2-[4-[[4-chloranyl-2-oxidanylidene-3-(phenylcarbonyl)-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-chloranyl-2-oxidanylidene-3-(phenylcarbonyl)-5-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-benzoyl-4-chloro-2-oxo-5-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-benzoyl-4-chloro-2-oxo-5-propyl-1-imidazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-benzoyl-4-chloro-2-oxo-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-benzoyl-4-chloro-2-keto-5-propyl-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H23ClN2O4/c1-2-8-23-24(28)30(25(31)20-9-4-3-5-10-20)27(34)29(23)17-18-13-15-19(16-14-18)21-11-6-7-12-22(21)26(32)33/h3-7,9-16H,2,8,17H2,1H3,(H,32,33)