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

Systemtic Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(3,4-dimethoxyphenyl)-5-(2-furyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H19N2O6- MolecularWeight: 371.36396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-25-16-6-5-12(10-17(16)26-2)13-11-14(15-4-3-9-27-15)21(20-13)18(22)7-8-19(23)24/h3-6,9-10,14H,7-8,11H2,1-2H3,(H,23,24)/p-1/t14-/m0/s1