4-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-[(5S)-3-(3,4-dimethoxyphenyl)-5-quinoxalin-6-yl-2-pyrazolin-1-yl]-4-keto-butyric acid Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O)OC

InChI

InChI=1S/C23H22N4O5/c1-31-20-6-4-14(12-21(20)32-2)17-13-19(27(26-17)22(28)7-8-23(29)30)15-3-5-16-18(11-15)25-10-9-24-16/h3-6,9-12,19H,7-8,13H2,1-2H3,(H,29,30)/t19-/m0/s1