7-[3-[azanyl(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-6-chloranyl-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[azanyl(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-6-chloranyl-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[amino(oxazol-2-yl)methyl]pyrrolidin-1-yl]-6-chloro-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[amino(2-oxazolyl)methyl]-1-pyrrolidinyl]-6-chloro-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-6-chloro-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[amino(oxazol-2-yl)methyl]pyrrolidino]-6-chloro-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H23ClN4O5 MolecularWeight: 458.89482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)C(C4=NC=CO4)N)Cl)C(=O)C(=CN2C5CC5)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)C(C4=NC=CO4)N)Cl)C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C22H23ClN4O5/c1-31-20-17-13(19(28)14(22(29)30)10-27(17)12-2-3-12)8-15(23)18(20)26-6-4-11(9-26)16(24)21-25-5-7-32-21/h5,7-8,10-12,16H,2-4,6,9,24H2,1H3,(H,29,30)