3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexen-1-yl]methyl]benzoic acid; sodium

Systemtic Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexen-1-yl]methyl]benzoic acid; sodium Openeye Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohexen-1-yl]methyl]benzoic acid; sodium CAS Name: 3-[[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohexenyl]methyl]benzoic acid; sodium IUPAC Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexen-1-yl]methyl]benzoic acid; sodium Traditional Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohexen-1-yl]methyl]benzoic acid; sodium Formula: C29H25NNaO3 MolecularWeight: 458.50347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)CC2=CC=CC(=C2)C(=O)O)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na]

Isomeric SMILES

C1CCC(=C(C1)CC2=CC=CC(=C2)C(=O)O)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na]

InChI

InChI=1S/C29H25NO3.Na/c31-29(32)24-16-9-10-20(19-24)18-23-15-7-8-17-25(23)28-30-26(21-11-3-1-4-12-21)27(33-28)22-13-5-2-6-14-22;/h1-6,9-14,16,19H,7-8,15,17-18H2,(H,31,32);