6-acetamido-1-cyclopropyl-5,8-dimethyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-acetamido-1-cyclopropyl-5,8-dimethyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid Openeye Name: 6-acetamido-1-cyclopropyl-5,8-dimethyl-4-oxo-2-(3-pyridyl)quinoline-3-carboxylic acid CAS Name: 6-acetamido-1-cyclopropyl-5,8-dimethyl-4-oxo-2-(3-pyridinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-acetamido-1-cyclopropyl-5,8-dimethyl-4-oxo-2-pyridin-3-ylquinoline-3-carboxylic acid Traditional Name: 6-acetamido-1-cyclopropyl-4-keto-5,8-dimethyl-2-(3-pyridyl)quinoline-3-carboxylic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)C3=CN=CC=C3)C4CC4)C)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C2=C1N(C(=C(C2=O)C(=O)O)C3=CN=CC=C3)C4CC4)C)NC(=O)C

InChI

InChI=1S/C22H21N3O4/c1-11-9-16(24-13(3)26)12(2)17-19(11)25(15-6-7-15)20(14-5-4-8-23-10-14)18(21(17)27)22(28)29/h4-5,8-10,15H,6-7H2,1-3H3,(H,24,26)(H,28,29)