5-[(3S)-5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-3-(3,4-dimethoxyphenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C20H21N2O6- MolecularWeight: 385.39054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@@H](C2)C3=CC=CO3)C(=O)CCCC(=O)[O-])OC

InChI

InChI=1S/C20H22N2O6/c1-26-17-9-8-13(11-18(17)27-2)14-12-15(16-5-4-10-28-16)22(21-14)19(23)6-3-7-20(24)25/h4-5,8-11,15H,3,6-7,12H2,1-2H3,(H,24,25)/p-1/t15-/m0/s1