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

Systemtic Name: 4-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(4,5-diphenyloxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohept-2-enyl]methyl]benzoic acid IUPAC Name: 4-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid Traditional Name: 4-[[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=C(C=C5)C(=O)O

Isomeric SMILES

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

InChI

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