prop-2-enyl (2S,4S)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylate Openeye Name: allyl (2S,4S)-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylate CAS Name: (2S,4S)-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxylate Traditional Name: (2S,4S)-2-(4-hydroxybutoxy)-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid allyl ester Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3CC(OC(=C3)C(=O)OCC=C)OCCCCO

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[C@H]3C[C@H](OC(=C3)C(=O)OCC=C)OCCCCO

InChI

InChI=1S/C24H30N2O6/c1-4-13-31-24(29)20-15-18(16-21(32-20)30-14-9-8-12-27)22-17(2)25(3)26(23(22)28)19-10-6-5-7-11-19/h4-7,10-11,15,18,21,27H,1,8-9,12-14,16H2,2-3H3/t18-,21+/m1/s1