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

Systemtic Name: 4-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-furyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-furanyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(furan-2-yl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-furyl)-3-(3-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(=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-24-13-5-2-4-12(10-13)14-11-15(16-6-3-9-25-16)20(19-14)17(21)7-8-18(22)23/h2-6,9-10,15H,7-8,11H2,1H3,(H,22,23)/p-1/t15-/m0/s1