triethyl (4S)-4-phenyl-1,4-dihydropyrazole-3,5,5-tricarboxylate

Systemtic Name: triethyl (4S)-4-phenyl-1,4-dihydropyrazole-3,5,5-tricarboxylate Openeye Name: triethyl (4S)-4-phenyl-1,4-dihydropyrazole-3,5,5-tricarboxylate CAS Name: (4S)-4-phenyl-1,4-dihydropyrazole-3,5,5-tricarboxylic acid triethyl ester IUPAC Name: triethyl (4S)-4-phenyl-1,4-dihydropyrazole-3,5,5-tricarboxylate Traditional Name: (4S)-4-phenyl-2-pyrazoline-3,3,5-tricarboxylic acid triethyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=NNC([C@@H]1C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H22N2O6/c1-4-24-15(21)14-13(12-10-8-7-9-11-12)18(20-19-14,16(22)25-5-2)17(23)26-6-3/h7-11,13,20H,4-6H2,1-3H3/t13-/m1/s1