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

Systemtic Name: 4-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-furyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-furanyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-furyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C18H17N2O4- MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CO3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-12-4-6-13(7-5-12)14-11-15(16-3-2-10-24-16)20(19-14)17(21)8-9-18(22)23/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)/p-1/t15-/m0/s1