triethyl (3R,5R)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate

Systemtic Name: triethyl (3R,5R)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate Openeye Name: triethyl (3R,5R)-4-phenyl-5-(p-tolyl)-1,2,4-triazolidine-1,2,3-tricarboxylate CAS Name: (3R,5R)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylic acid triethyl ester IUPAC Name: triethyl (3R,5R)-5-(4-methylphenyl)-4-phenyl-1,2,4-triazolidine-1,2,3-tricarboxylate Traditional Name: (3R,5R)-4-phenyl-5-(p-tolyl)-1,2,4-triazolidine-1,2,3-tricarboxylic acid triethyl ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(C(N(N1C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1N([C@H](N(N1C(=O)OCC)C(=O)OCC)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O6/c1-5-31-22(28)21-25(19-11-9-8-10-12-19)20(18-15-13-17(4)14-16-18)26(23(29)32-6-2)27(21)24(30)33-7-3/h8-16,20-21H,5-7H2,1-4H3/t20-,21-/m1/s1