diethyl 5-phenyl-3-(phenylcarbonyl)-4-(phenylmethyl)-1,2,4-triazolidine-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(NN(C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(NN(C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)C(=O)C4=CC=CC=C4

InChI

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