4-[[3-cyano-4-(furan-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-cyano-4-(furan-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-cyano-4-(3-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid CAS Name: 4-[[3-cyano-4-(3-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-cyano-4-(furan-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-cyano-4-(3-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]oxymethyl]benzoic acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)OCC3=CC=C(C=C3)C(=O)O)C#N)C4=COC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)OCC3=CC=C(C=C3)C(=O)O)C#N)C4=COC=C4

InChI

InChI=1S/C22H18N2O4/c23-11-18-20(16-9-10-27-13-16)17-3-1-2-4-19(17)24-21(18)28-12-14-5-7-15(8-6-14)22(25)26/h5-10,13H,1-4,12H2,(H,25,26)