diethyl 4-cyclohexyl-3-(4-methylphenyl)carbonyl-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate

Systemtic Name: diethyl 4-cyclohexyl-3-(4-methylphenyl)carbonyl-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate Openeye Name: diethyl 4-cyclohexyl-3-(4-methylbenzoyl)-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate CAS Name: 4-cyclohexyl-3-[(4-methylphenyl)-oxomethyl]-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-cyclohexyl-3-(4-methylbenzoyl)-5-phenyl-1,2,4-triazolidine-1,2-dicarboxylate Traditional Name: 4-cyclohexyl-3-phenyl-5-p-toluoyl-1,2,4-triazolidine-1,2-dicarboxylic acid diethyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(N(C(N1C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1C(N(C(N1C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5/c1-4-35-27(33)30-25(22-12-8-6-9-13-22)29(23-14-10-7-11-15-23)26(31(30)28(34)36-5-2)24(32)21-18-16-20(3)17-19-21/h6,8-9,12-13,16-19,23,25-26H,4-5,7,10-11,14-15H2,1-3H3