2-methyl-3-(6-oxidanylidene-2-propyl-cyclohepta[d]imidazol-3-yl)-6-phenyl-benzoic acid

Systemtic Name: 2-methyl-3-(6-oxidanylidene-2-propyl-cyclohepta[d]imidazol-3-yl)-6-phenyl-benzoic acid Openeye Name: 2-methyl-3-(6-oxo-2-propyl-cyclohepta[d]imidazol-3-yl)-6-phenyl-benzoic acid CAS Name: 2-methyl-3-(6-oxo-2-propyl-3-cyclohepta[d]imidazolyl)-6-phenylbenzoic acid IUPAC Name: 2-methyl-3-(6-oxo-2-propylcyclohepta[d]imidazol-3-yl)-6-phenylbenzoic acid Traditional Name: 3-(6-keto-2-propyl-cyclohept[d]imidazol-3-yl)-2-methyl-6-phenyl-benzoic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=CC(=O)C=C2

Isomeric SMILES

CCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)C(=O)O)C)C=CC(=O)C=C2

InChI

InChI=1S/C25H22N2O3/c1-3-7-23-26-20-13-10-18(28)11-14-22(20)27(23)21-15-12-19(17-8-5-4-6-9-17)24(16(21)2)25(29)30/h4-6,8-15H,3,7H2,1-2H3,(H,29,30)