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

Systemtic Name: 4-[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-furyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-furanyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(furan-2-yl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-furyl)-3-(2-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C18H17N2O5- MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN([C@@H](C2)C3=CC=CO3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-24-15-6-3-2-5-12(15)13-11-14(16-7-4-10-25-16)20(19-13)17(21)8-9-18(22)23/h2-7,10,14H,8-9,11H2,1H3,(H,22,23)/p-1/t14-/m0/s1