7-[5-(acetyloxymethyl)pyridin-3-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[5-(acetyloxymethyl)pyridin-3-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[5-(acetoxymethyl)-3-pyridyl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[5-(acetyloxymethyl)-3-pyridinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[5-(acetyloxymethyl)pyridin-3-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[5-(acetoxymethyl)-3-pyridyl]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)COC(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CN=C4)COC(=O)C

InChI

InChI=1S/C22H20N2O5/c1-12-17(15-7-14(8-23-9-15)11-29-13(2)25)5-6-18-20(12)24(16-3-4-16)10-19(21(18)26)22(27)28/h5-10,16H,3-4,11H2,1-2H3,(H,27,28)