ethyl (4S,5S)-4-ethyl-5-methanoyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate

Systemtic Name: ethyl (4S,5S)-4-ethyl-5-methanoyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate Openeye Name: ethyl (4S,5S)-4-ethyl-5-formyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate CAS Name: (4S,5S)-4-ethyl-5-formyl-5-phenyl-1,4-dihydropyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-ethyl-5-formyl-5-phenyl-1,4-dihydropyrazole-3-carboxylate Traditional Name: (4S,5S)-4-ethyl-5-formyl-5-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NNC1(C=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[C@@H]1C(=NN[C@]1(C=O)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C15H18N2O3/c1-3-12-13(14(19)20-4-2)16-17-15(12,10-18)11-8-6-5-7-9-11/h5-10,12,17H,3-4H2,1-2H3/t12-,15-/m1/s1