2-[(5-butyl-4-chloranyl-2-oxidanylidene-3-phenyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid

Systemtic Name: 2-[(5-butyl-4-chloranyl-2-oxidanylidene-3-phenyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid Openeye Name: 2-[(5-butyl-4-chloro-2-oxo-3-phenyl-imidazol-1-yl)methyl]-6-phenyl-benzoic acid CAS Name: 2-[(5-butyl-4-chloro-2-oxo-3-phenyl-1-imidazolyl)methyl]-6-phenylbenzoic acid IUPAC Name: 2-[(5-butyl-4-chloro-2-oxo-3-phenylimidazol-1-yl)methyl]-6-phenylbenzoic acid Traditional Name: 2-[(5-butyl-4-chloro-2-keto-3-phenyl-4-imidazolin-1-yl)methyl]-6-phenyl-benzoic acid Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2C(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C27H25ClN2O3/c1-2-3-17-23-25(28)30(21-14-8-5-9-15-21)27(33)29(23)18-20-13-10-16-22(24(20)26(31)32)19-11-6-4-7-12-19/h4-16H,2-3,17-18H2,1H3,(H,31,32)