O4-ethyl O1-(phenylcarbonyl) 5-ethyl-3-phenyl-2-(phenylmethyl)-1,2,4-triazolidine-1,4-dicarboxylate

Systemtic Name: O4-ethyl O1-(phenylcarbonyl) 5-ethyl-3-phenyl-2-(phenylmethyl)-1,2,4-triazolidine-1,4-dicarboxylate Openeye Name: O1-benzoyl O4-ethyl 2-benzyl-5-ethyl-3-phenyl-1,2,4-triazolidine-1,4-dicarboxylate CAS Name: 5-ethyl-3-phenyl-2-(phenylmethyl)-1,2,4-triazolidine-1,4-dicarboxylic acid O1-benzoyl ester O4-ethyl ester IUPAC Name: 1-O-benzoyl 4-O-ethyl 2-benzyl-5-ethyl-3-phenyl-1,2,4-triazolidine-1,4-dicarboxylate Traditional Name: 2-benzyl-5-ethyl-3-phenyl-1,2,4-triazolidine-1,4-dicarboxylic acid O1-benzoyl ester O4-ethyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C(N(N1C(=O)OC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1N(C(N(N1C(=O)OC(=O)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H29N3O5/c1-3-24-30(27(33)35-4-2)25(22-16-10-6-11-17-22)29(20-21-14-8-5-9-15-21)31(24)28(34)36-26(32)23-18-12-7-13-19-23/h5-19,24-25H,3-4,20H2,1-2H3