1-cyclopropyl-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(1-methylisoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-4-keto-7-(1-methylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1)C=C(C=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O

Isomeric SMILES

CC1C2=C(CN1)C=C(C=C2)C3=CC4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O

InChI

InChI=1S/C22H20N2O3/c1-12-17-6-2-13(8-15(17)10-23-12)14-3-7-18-20(9-14)24(16-4-5-16)11-19(21(18)25)22(26)27/h2-3,6-9,11-12,16,23H,4-5,10H2,1H3,(H,26,27)