[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 9H-xanthene-9-carboxylate Openeye Name: [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H20N2O4/c1-15-11-13-17(14-12-15)24-27-26-23(31-24)16(2)29-25(28)22-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)22/h3-14,16,22H,1-2H3/t16-/m0/s1