dimethyl (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylate

Systemtic Name: dimethyl (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylate Openeye Name: dimethyl (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylate CAS Name: (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylate Traditional Name: (3S,5S)-4-(4-methoxyphenyl)-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylic acid dimethyl ester Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(N(N(C2C3=CC=CC=C3)C(=O)OC)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@@H](N(N([C@H]2C3=CC=CC=C3)C(=O)OC)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5/c1-31-21-16-14-20(15-17-21)26-22(18-10-6-4-7-11-18)27(24(29)32-2)28(25(30)33-3)23(26)19-12-8-5-9-13-19/h4-17,22-23H,1-3H3/t22-,23-/m0/s1