3-[[(2E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooct-2-en-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooct-2-en-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2E)-2-(4,5-diphenyloxazol-2-yl)cyclooct-2-en-1-yl]methyl]benzoic acid CAS Name: 3-[[(2E)-2-(4,5-diphenyl-2-oxazolyl)-1-cyclooct-2-enyl]methyl]benzoic acid IUPAC Name: 3-[[(2E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooct-2-en-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2E)-2-(4,5-diphenyloxazol-2-yl)cyclooct-2-en-1-yl]methyl]benzoic acid Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC=C(C(CC1)CC2=CC=CC(=C2)C(=O)O)C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC/C=C(\C(CC1)CC2=CC=CC(=C2)C(=O)O)/C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO3/c33-31(34)26-18-11-12-22(21-26)20-25-17-5-1-2-10-19-27(25)30-32-28(23-13-6-3-7-14-23)29(35-30)24-15-8-4-9-16-24/h3-4,6-9,11-16,18-19,21,25H,1-2,5,10,17,20H2,(H,33,34)/b27-19+