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

Systemtic Name: 4-[(3S)-3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chlorophenyl)-5-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chlorophenyl)-3-(2-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C20H18ClN2O4- MolecularWeight: 385.82092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(C2)C3=CC=CC=C3Cl)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN([C@@H](C2)C3=CC=CC=C3Cl)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C20H19ClN2O4/c1-27-18-9-5-3-7-14(18)16-12-17(13-6-2-4-8-15(13)21)23(22-16)19(24)10-11-20(25)26/h2-9,17H,10-12H2,1H3,(H,25,26)/p-1/t17-/m0/s1