5-(acetyloxymethyl)-1-cyclopropyl-8-methyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-(acetyloxymethyl)-1-cyclopropyl-8-methyl-4-oxidanylidene-2-pyridin-3-yl-quinoline-3-carboxylic acid Openeye Name: 5-(acetoxymethyl)-1-cyclopropyl-8-methyl-4-oxo-2-(3-pyridyl)quinoline-3-carboxylic acid CAS Name: 5-(acetyloxymethyl)-1-cyclopropyl-8-methyl-4-oxo-2-(3-pyridinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-(acetyloxymethyl)-1-cyclopropyl-8-methyl-4-oxo-2-pyridin-3-ylquinoline-3-carboxylic acid Traditional Name: 5-(acetoxymethyl)-1-cyclopropyl-4-keto-8-methyl-2-(3-pyridyl)quinoline-3-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)COC(=O)C)C(=O)C(=C(N2C3CC3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)COC(=O)C)C(=O)C(=C(N2C3CC3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C22H20N2O5/c1-12-5-6-15(11-29-13(2)25)17-19(12)24(16-7-8-16)20(14-4-3-9-23-10-14)18(21(17)26)22(27)28/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,27,28)