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

Systemtic Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid CAS Name: 3-[[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohept-2-enyl]methyl]benzoic acid IUPAC Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=CC1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(C(=CC1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C30H27NO3/c32-30(33)25-17-10-11-21(20-25)19-24-16-8-3-9-18-26(24)29-31-27(22-12-4-1-5-13-22)28(34-29)23-14-6-2-7-15-23/h1-2,4-7,10-15,17-18,20,24H,3,8-9,16,19H2,(H,32,33)