O4-butyl O5-ethyl (4S)-2-phenyl-3,4-dihydropyrazole-4,5-dicarboxylate

Systemtic Name: O4-butyl O5-ethyl (4S)-2-phenyl-3,4-dihydropyrazole-4,5-dicarboxylate Openeye Name: O4-butyl O5-ethyl (4S)-2-phenyl-3,4-dihydropyrazole-4,5-dicarboxylate CAS Name: (4S)-2-phenyl-3,4-dihydropyrazole-4,5-dicarboxylic acid O4-butyl ester O5-ethyl ester IUPAC Name: 4-O-butyl 5-O-ethyl (4S)-2-phenyl-3,4-dihydropyrazole-4,5-dicarboxylate Traditional Name: (4S)-1-phenyl-2-pyrazoline-3,4-dicarboxylic acid O4-butyl ester O3-ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CN(N=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)[C@H]1CN(N=C1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O4/c1-3-5-11-23-16(20)14-12-19(13-9-7-6-8-10-13)18-15(14)17(21)22-4-2/h6-10,14H,3-5,11-12H2,1-2H3/t14-/m0/s1