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

Systemtic Name: 4-[5-(2-ethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(2-ethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[5-(2-ethoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[5-(2-ethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(3-o-phenetyl-5-quinoxalin-6-yl-2-pyrazolin-1-yl)butyric acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C23H22N4O4/c1-2-31-21-6-4-3-5-16(21)18-14-20(27(26-18)22(28)9-10-23(29)30)15-7-8-17-19(13-15)25-12-11-24-17/h3-8,11-13,20H,2,9-10,14H2,1H3,(H,29,30)