2-[3-(4-chlorophenyl)propyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-[3-(4-chlorophenyl)propyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-[3-(4-chlorophenyl)propyl]-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-[3-(4-chlorophenyl)propyl]-6-(2,3-dihydrobenzofuran-5-yl)-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-[3-(4-chlorophenyl)propyl]-6-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-[3-(4-chlorophenyl)propyl]-6-coumaran-5-yl-3-keto-pyridazine-4-carboxylic acid Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=NN(C(=O)C(=C3)C(=O)O)CCCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=NN(C(=O)C(=C3)C(=O)O)CCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN2O4/c23-17-6-3-14(4-7-17)2-1-10-25-21(26)18(22(27)28)13-19(24-25)15-5-8-20-16(12-15)9-11-29-20/h3-8,12-13H,1-2,9-11H2,(H,27,28)