6-chloranyl-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-chloro-1-ethyl-7-[1-imidazolyl(phenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-ethyl-7-[imidazol-1-yl(phenyl)methyl]-4-keto-quinoline-3-carboxylic acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(C3=CC=CC=C3)N4C=CN=C4)Cl)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)C(C3=CC=CC=C3)N4C=CN=C4)Cl)C(=O)O

InChI

InChI=1S/C22H18ClN3O3/c1-2-25-12-17(22(28)29)21(27)16-10-18(23)15(11-19(16)25)20(26-9-8-24-13-26)14-6-4-3-5-7-14/h3-13,20H,2H2,1H3,(H,28,29)