2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cycloheptyl]methyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cycloheptyl]methyl]phenoxy]ethanoate Openeye Name: 2-[3-[[2-(4,5-diphenyloxazol-2-yl)cycloheptyl]methyl]phenoxy]acetate CAS Name: 2-[3-[[2-(4,5-diphenyl-2-oxazolyl)cycloheptyl]methyl]phenoxy]acetate IUPAC Name: 2-[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cycloheptyl]methyl]phenoxy]acetate Traditional Name: 2-[3-[[2-(4,5-diphenyloxazol-2-yl)cycloheptyl]methyl]phenoxy]acetate Formula: C31H30NO4- MolecularWeight: 480.5742

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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)OCC(=O)[O-]

Isomeric SMILES

C1CCC(C(CC1)C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC(=CC=C5)OCC(=O)[O-]

InChI

InChI=1S/C31H31NO4/c33-28(34)21-35-26-17-10-11-22(20-26)19-25-16-8-3-9-18-27(25)31-32-29(23-12-4-1-5-13-23)30(36-31)24-14-6-2-7-15-24/h1-2,4-7,10-15,17,20,25,27H,3,8-9,16,18-19,21H2,(H,33,34)/p-1