7-[2-(chloromethyl)-6-methyl-pyridin-4-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(chloromethyl)-6-methyl-pyridin-4-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(chloromethyl)-6-methyl-4-pyridyl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(chloromethyl)-6-methyl-4-pyridinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(chloromethyl)-6-methylpyridin-4-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(chloromethyl)-6-methyl-4-pyridyl]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CCl

Isomeric SMILES

CC1=NC(=CC(=C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)C)CCl

InChI

InChI=1S/C21H19ClN2O3/c1-11-7-13(8-14(9-22)23-11)16-5-6-17-19(12(16)2)24(15-3-4-15)10-18(20(17)25)21(26)27/h5-8,10,15H,3-4,9H2,1-2H3,(H,26,27)