ethyl (3R,4S)-3-methanoyl-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate

Systemtic Name: ethyl (3R,4S)-3-methanoyl-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate Openeye Name: ethyl (3R,4S)-4-(2-benzyloxyethyl)-3-formyl-3,4-dihydropyrazole-2-carboxylate CAS Name: (3R,4S)-3-formyl-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-3-formyl-4-(2-phenylmethoxyethyl)-3,4-dihydropyrazole-2-carboxylate Traditional Name: (4S,5R)-4-(2-benzoxyethyl)-5-formyl-2-pyrazoline-1-carboxylic acid ethyl ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(C=N1)CCOCC2=CC=CC=C2)C=O

Isomeric SMILES

CCOC(=O)N1[C@H]([C@@H](C=N1)CCOCC2=CC=CC=C2)C=O

InChI

InChI=1S/C16H20N2O4/c1-2-22-16(20)18-15(11-19)14(10-17-18)8-9-21-12-13-6-4-3-5-7-13/h3-7,10-11,14-15H,2,8-9,12H2,1H3/t14-,15+/m1/s1