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

Systemtic Name: 5-azanyl-7-[3-[azanyl(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-[amino(oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-[amino(2-oxazolyl)methyl]-1-pyrrolidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-[amino(1,3-oxazol-2-yl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-[amino(oxazol-2-yl)methyl]pyrrolidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O5/c1-31-20-15(26-6-4-11(9-26)17(24)21-25-5-7-32-21)8-14(23)16-18(20)27(12-2-3-12)10-13(19(16)28)22(29)30/h5,7-8,10-12,17H,2-4,6,9,23-24H2,1H3,(H,29,30)